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	hartrees
Energy at 0K	-213.705229
Energy at 298.15K	-213.717939
HF Energy	-213.705229
Nuclear repulsion energy	189.273394

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3525	3379	2.06
2	A'	3149	3018	53.16
3	A'	3127	2998	85.32
4	A'	3070	2943	63.59
5	A'	3058	2931	14.09
6	A'	2946	2824	201.32
7	A'	1545	1481	2.96
8	A'	1519	1456	2.87
9	A'	1509	1446	18.13
10	A'	1442	1383	3.89
11	A'	1404	1346	1.59
12	A'	1338	1283	4.55
13	A'	1244	1192	1.16
14	A'	1177	1128	15.68
15	A'	1081	1036	8.41
16	A'	912	874	7.75
17	A'	830	796	1.98
18	A'	782	749	77.62
19	A'	427	409	0.30
20	A'	263	252	0.94
21	A'	183	175	0.71
22	A'	112	107	1.28
23	A"	3149	3018	14.73
24	A"	3127	2998	18.39
25	A"	3068	2941	3.14
26	A"	3057	2930	33.43
27	A"	2942	2821	13.27
28	A"	1535	1471	9.91
29	A"	1527	1463	9.55
30	A"	1514	1451	10.82
31	A"	1498	1436	13.47
32	A"	1421	1362	18.42
33	A"	1367	1310	24.67
34	A"	1296	1243	4.98
35	A"	1189	1140	52.17
36	A"	1123	1076	7.42
37	A"	1078	1034	3.83
38	A"	958	918	0.18
39	A"	809	775	0.35
40	A"	423	405	0.64
41	A"	263	252	0.76
42	A"	118	113	1.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.282	0.000
C2	0.017	0.515	1.211
C3	0.017	0.515	-1.211
C4	0.017	-0.369	2.441
C5	0.017	-0.369	-2.441
H6	-0.800	-0.883	0.000
H7	-0.831	1.220	1.254
H8	0.921	1.130	1.202
H9	-0.831	1.220	-1.254
H10	0.921	1.130	-1.202
H11	0.075	0.224	3.354
H12	-0.894	-0.969	2.498
H13	0.865	-1.053	2.416
H14	0.075	0.224	-3.354
H15	-0.894	-0.969	-2.498
H16	0.865	-1.053	-2.416

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4498	1.4498	2.4427	2.4427	1.0140	2.1328	2.0635	2.1328	2.0635	3.3928	2.7460	2.6736	3.3928	2.7460	2.6736
C2	1.4498		2.4220	1.5147	3.7575	2.0217	1.1037	1.0938	2.7008	2.6496	2.1636	2.1651	2.1513	4.5748	4.0972	4.0409
C3	1.4498	2.4220		3.7575	1.5147	2.0217	2.7008	2.6496	1.1037	1.0938	4.5748	4.0972	4.0409	2.1636	2.1651	2.1513
C4	2.4427	1.5147	3.7575		4.8823	2.6250	2.1567	2.1446	4.1109	4.0422	1.0905	1.0926	1.0898	5.8259	5.0580	4.9774
C5	2.4427	3.7575	1.5147	4.8823		2.6250	4.1109	4.0422	2.1567	2.1446	5.8259	5.0580	4.9774	1.0905	1.0926	1.0898
H6	1.0140	2.0217	2.0217	2.6250	2.6250		2.4483	2.9086	2.4483	2.9086	3.6390	2.5010	2.9388	3.6390	2.5010	2.9388
H7	2.1328	1.1037	2.7008	2.1567	4.1109	2.4483		1.7558	2.5088	3.0192	2.4943	2.5177	3.0643	4.8012	4.3441	4.6379
H8	2.0635	1.0938	2.6496	2.1446	4.0422	2.9086	1.7558		3.0192	2.4046	2.4833	3.0627	2.4980	4.7221	4.6252	4.2258
H9	2.1328	2.7008	1.1037	4.1109	2.1567	2.4483	2.5088	3.0192		1.7558	4.8012	4.3441	4.6379	2.4943	2.5177	3.0643
H10	2.0635	2.6496	1.0938	4.0422	2.1446	2.9086	3.0192	2.4046	1.7558		4.7221	4.6252	4.2258	2.4833	3.0627	2.4980
H11	3.3928	2.1636	4.5748	1.0905	5.8259	3.6390	2.4943	2.4833	4.8012	4.7221		1.7600	1.7709	6.7085	6.0506	5.9620
H12	2.7460	2.1651	4.0972	1.0926	5.0580	2.5010	2.5177	3.0627	4.3441	4.6252	1.7600		1.7634	6.0506	4.9955	5.2195
H13	2.6736	2.1513	4.0409	1.0898	4.9774	2.9388	3.0643	2.4980	4.6379	4.2258	1.7709	1.7634		5.9620	5.2195	4.8311
H14	3.3928	4.5748	2.1636	5.8259	1.0905	3.6390	4.8012	4.7221	2.4943	2.4833	6.7085	6.0506	5.9620		1.7600	1.7709
H15	2.7460	4.0972	2.1651	5.0580	1.0926	2.5010	4.3441	4.6252	2.5177	3.0627	6.0506	4.9955	5.2195	1.7600		1.7634
H16	2.6736	4.0409	2.1513	4.9774	1.0898	2.9388	4.6379	4.2258	3.0643	2.4980	5.9620	5.2195	4.8311	1.7709	1.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.948	N1	C2	H7	112.578
N1	C2	H8	107.610	N1	C3	C5	110.948
N1	C3	H9	112.578	N1	C3	H10	107.610
C2	N1	C3	113.287	C2	N1	H6	108.999
C2	C4	H11	111.261	C2	C4	H12	111.247
C2	C4	H13	110.316	C3	N1	H6	108.999
C3	C5	H14	111.261	C3	C5	H15	111.247
C3	C5	H16	110.316	C4	C2	H7	109.915
C4	C2	H8	109.546	C5	C3	H8	151.063
C5	C3	H10	109.546	H7	C2	H8	106.070
H9	C3	H10	106.070	H11	C4	H12	107.448
H11	C4	H13	108.636	H12	C4	H13	107.803
H14	C5	H15	107.448	H14	C5	H16	108.636
H15	C5	H16	107.803

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

using model chemistry: B1B95/6-311G*

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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Number	Element	Mulliken
1	N	-0.506
2	C	-0.295
3	C	-0.295
4	C	-0.657
5	C	-0.657
6	H	0.299
7	H	0.183
8	H	0.218
9	H	0.183
10	H	0.218
11	H	0.218
12	H	0.209
13	H	0.227
14	H	0.218
15	H	0.209
16	H	0.227

	x	y	z
x	7.214	0.027	0.000
y	0.027	7.734	0.000
z	0.000	0.000	9.695

<r²>	185.708
(<r²>)^1/2	13.627

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

using model chemistry: B1B95/6-311G*

States and conformations

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