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	hartrees
Energy at 0K	-213.694684
Energy at 298.15K	-213.707400
HF Energy	-213.694684
Nuclear repulsion energy	188.566592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3539	3370	0.11
2	A'	3160	3009	37.34
3	A'	3142	2992	61.40
4	A'	3084	2936	53.64
5	A'	3068	2921	12.31
6	A'	2972	2830	178.37
7	A'	1533	1460	1.59
8	A'	1509	1437	3.71
9	A'	1502	1430	16.52
10	A'	1442	1374	3.42
11	A'	1400	1333	1.17
12	A'	1327	1263	5.64
13	A'	1235	1176	2.28
14	A'	1176	1120	16.81
15	A'	1084	1032	8.64
16	A'	907	864	3.69
17	A'	829	790	1.93
18	A'	761	725	87.07
19	A'	432	411	0.43
20	A'	256	244	1.51
21	A'	192	183	1.11
22	A'	113	108	1.48
23	A"	3160	3009	10.66
24	A"	3142	2992	14.63
25	A"	3083	2936	0.94
26	A"	3067	2920	30.37
27	A"	2970	2828	13.53
28	A"	1523	1450	7.91
29	A"	1514	1441	7.71
30	A"	1504	1432	8.54
31	A"	1485	1414	34.87
32	A"	1420	1352	15.52
33	A"	1359	1294	18.00
34	A"	1288	1226	4.66
35	A"	1197	1140	49.36
36	A"	1120	1066	6.78
37	A"	1076	1024	4.35
38	A"	957	912	0.09
39	A"	807	768	0.46
40	A"	434	413	0.38
41	A"	258	246	0.61
42	A"	122	116	1.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.280	0.000
C2	0.017	0.519	1.217
C3	0.017	0.519	-1.217
C4	0.017	-0.373	2.450
C5	0.017	-0.373	-2.450
H6	-0.790	-0.901	0.000
H7	-0.838	1.219	1.258
H8	0.925	1.135	1.206
H9	-0.838	1.219	-1.258
H10	0.925	1.135	-1.206
H11	0.041	0.225	3.365
H12	-0.884	-0.994	2.482
H13	0.886	-1.035	2.437
H14	0.041	0.225	-3.365
H15	-0.884	-0.994	-2.482
H16	0.886	-1.035	-2.437

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4560	1.4560	2.4521	2.4521	1.0181	2.1358	2.0691	2.1358	2.0691	3.4032	2.7352	2.6957	3.4032	2.7352	2.6957
C2	1.4560		2.4338	1.5221	3.7741	2.0370	1.1059	1.0968	2.7103	2.6599	2.1686	2.1687	2.1590	4.5918	4.0968	4.0652
C3	1.4560	2.4338		3.7741	1.5221	2.0370	2.7103	2.6599	1.1059	1.0968	4.5918	4.0968	4.0652	2.1686	2.1687	2.1590
C4	2.4521	1.5221	3.7741		4.9007	2.6333	2.1651	2.1550	4.1250	4.0580	1.0933	1.0956	1.0929	5.8464	5.0521	5.0085
C5	2.4521	3.7741	1.5221	4.9007		2.6333	4.1250	4.0580	2.1651	2.1550	5.8464	5.0521	5.0085	1.0933	1.0956	1.0929
H6	1.0181	2.0370	2.0370	2.6333	2.6333		2.4659	2.9223	2.4659	2.9223	3.6449	2.4852	2.9611	3.6449	2.4852	2.9611
H7	2.1358	1.1059	2.7103	2.1651	4.1250	2.4659		1.7657	2.5157	3.0310	2.4906	2.5299	3.0736	4.8099	4.3459	4.6595
H8	2.0691	1.0968	2.6599	2.1550	4.0580	2.9223	1.7657		3.0310	2.4126	2.5039	3.0714	2.4952	4.7443	4.6269	4.2411
H9	2.1358	2.7103	1.1059	4.1250	2.1651	2.4659	2.5157	3.0310		1.7657	4.8099	4.3459	4.6595	2.4906	2.5299	3.0736
H10	2.0691	2.6599	1.0968	4.0580	2.1550	2.9223	3.0310	2.4126	1.7657		4.7443	4.6269	4.2411	2.5039	3.0714	2.4952
H11	3.4032	2.1686	4.5918	1.0933	5.8464	3.6449	2.4906	2.5039	4.8099	4.7443		1.7679	1.7786	6.7307	6.0442	5.9980
H12	2.7352	2.1687	4.0968	1.0956	5.0521	2.4852	2.5299	3.0714	4.3459	4.6269	1.7679		1.7716	6.0442	4.9634	5.2283
H13	2.6957	2.1590	4.0652	1.0929	5.0085	2.9611	3.0736	2.4952	4.6595	4.2411	1.7786	1.7716		5.9980	5.2283	4.8750
H14	3.4032	4.5918	2.1686	5.8464	1.0933	3.6449	4.8099	4.7443	2.4906	2.5039	6.7307	6.0442	5.9980		1.7679	1.7786
H15	2.7352	4.0968	2.1687	5.0521	1.0956	2.4852	4.3459	4.6269	2.5299	3.0714	6.0442	4.9634	5.2283	1.7679		1.7716
H16	2.6957	4.0652	2.1590	5.0085	1.0929	2.9611	4.6595	4.2411	3.0736	2.4952	5.9980	5.2283	4.8750	1.7786	1.7716

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.828	N1	C2	H7	112.240
N1	C2	H8	107.461	N1	C3	C5	110.828
N1	C3	H9	112.240	N1	C3	H10	107.461
C2	N1	C3	113.396	C2	N1	H6	109.564
C2	C4	H11	110.963	C2	C4	H12	110.839
C2	C4	H13	110.223	C3	N1	H6	109.564
C3	C5	H14	110.963	C3	C5	H15	110.839
C3	C5	H16	110.223	C4	C2	H7	109.933
C4	C2	H8	109.675	C5	C3	H8	150.910
C5	C3	H10	109.675	H7	C2	H8	106.562
H9	C3	H10	106.562	H11	C4	H12	107.738
H11	C4	H13	108.886	H12	C4	H13	108.100
H14	C5	H15	107.738	H14	C5	H16	108.886
H15	C5	H16	108.100

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)

using model chemistry: M06-2X/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.430
2	C	-0.055
3	C	-0.055
4	C	-0.624
5	C	-0.624
6	H	0.284
7	H	0.126
8	H	0.145
9	H	0.126
10	H	0.145
11	H	0.157
12	H	0.148
13	H	0.176
14	H	0.157
15	H	0.148
16	H	0.176

	x	y	z	Total
	-0.863	0.473	0.000	0.984
CHELPG
AIM
ESP

	x	y	z
x	7.646	-0.130	0.000
y	-0.130	8.270	0.000
z	0.000	0.000	9.949

<r²>	187.088
(<r²>)^1/2	13.678

All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for NH(C₂H₅)₂ (diethylamine)