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	hartrees
Energy at 0K	-212.222735
Energy at 298.15K	-212.235658
HF Energy	-212.222735
Nuclear repulsion energy	188.621350

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3775	3409	0.07
2	A'	3276	2958	73.12
3	A'	3252	2936	107.14
4	A'	3211	2899	52.94
5	A'	3186	2877	24.85
6	A'	3096	2795	192.19
7	A'	1698	1533	0.30
8	A'	1659	1498	3.31
9	A'	1650	1490	13.30
10	A'	1579	1425	4.73
11	A'	1569	1416	0.53
12	A'	1441	1301	2.80
13	A'	1349	1218	5.55
14	A'	1288	1163	18.65
15	A'	1136	1025	4.82
16	A'	970	876	0.23
17	A'	915	826	0.47
18	A'	686	619	140.56
19	A'	453	409	2.35
20	A'	271	245	1.84
21	A'	198	179	2.23
22	A'	107	97	2.46
23	A"	3276	2958	11.30
24	A"	3251	2935	33.67
25	A"	3205	2894	0.90
26	A"	3185	2876	39.36
27	A"	3088	2788	6.92
28	A"	1686	1522	1.31
29	A"	1673	1510	20.73
30	A"	1656	1496	10.77
31	A"	1643	1484	10.66
32	A"	1574	1422	12.50
33	A"	1512	1366	25.01
34	A"	1419	1281	3.49
35	A"	1276	1152	61.02
36	A"	1249	1127	11.33
37	A"	1173	1059	0.42
38	A"	1021	922	0.45
39	A"	900	813	0.36
40	A"	464	419	0.37
41	A"	270	244	0.59
42	A"	106	96	1.36

Atom	x (Å)	y (Å)	z (Å)
N1	0.014	-0.227	0.000
C2	0.014	0.533	1.240
C3	0.014	0.533	-1.240
C4	0.014	-0.397	2.447
C5	0.014	-0.397	-2.447
H6	-0.644	-0.979	0.000
H7	-0.839	1.215	1.302
H8	0.906	1.150	1.255
H9	-0.839	1.215	-1.302
H10	0.906	1.150	-1.255
H11	0.049	0.168	3.372
H12	-0.883	-1.009	2.468
H13	0.872	-1.057	2.413
H14	0.049	0.168	-3.372
H15	-0.883	-1.009	-2.468
H16	0.872	-1.057	-2.413

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4543	1.4543	2.4533	2.4533	0.9992	2.1225	2.0660	2.1225	2.0660	3.3954	2.7397	2.6916	3.3954	2.7397	2.6916
C2	1.4543		2.4791	1.5244	3.8024	2.0632	1.0938	1.0847	2.7666	2.7201	2.1639	2.1658	2.1541	4.6263	4.1144	4.0747
C3	1.4543	2.4791		3.8024	1.5244	2.0632	2.7666	2.7201	1.0938	1.0847	4.6263	4.1144	4.0747	2.1639	2.1658	2.1541
C4	2.4533	1.5244	3.8024		4.8948	2.6004	2.1534	2.1473	4.1699	4.1106	1.0841	1.0858	1.0827	5.8470	5.0340	4.9792
C5	2.4533	3.8024	1.5244	4.8948		2.6004	4.1699	4.1106	2.1534	2.1473	5.8470	5.0340	4.9792	1.0841	1.0858	1.0827
H6	0.9992	2.0632	2.0632	2.6004	2.6004		2.5594	2.9176	2.5594	2.9176	3.6287	2.4798	2.8504	3.6287	2.4798	2.8504
H7	2.1225	1.0938	2.7666	2.1534	4.1699	2.5594		1.7463	2.6049	3.0964	2.4836	2.5114	3.0530	4.8720	4.3778	4.6787
H8	2.0660	1.0847	2.7201	2.1473	4.1106	2.9176	1.7463		3.0964	2.5100	2.4864	3.0548	2.4926	4.8073	4.6607	4.2808
H9	2.1225	2.7666	1.0938	4.1699	2.1534	2.5594	2.6049	3.0964		1.7463	4.8720	4.3778	4.6787	2.4836	2.5114	3.0530
H10	2.0660	2.7201	1.0847	4.1106	2.1473	2.9176	3.0964	2.5100	1.7463		4.8073	4.6607	4.2808	2.4864	3.0548	2.4926
H11	3.3954	2.1639	4.6263	1.0841	5.8470	3.6287	2.4836	2.4864	4.8720	4.8073		1.7520	1.7600	6.7443	6.0300	5.9701
H12	2.7397	2.1658	4.1144	1.0858	5.0340	2.4798	2.5114	3.0548	4.3778	4.6607	1.7520		1.7559	6.0300	4.9362	5.1868
H13	2.6916	2.1541	4.0747	1.0827	4.9792	2.8504	3.0530	2.4926	4.6787	4.2808	1.7600	1.7559		5.9701	5.1868	4.8255
H14	3.3954	4.6263	2.1639	5.8470	1.0841	3.6287	4.8720	4.8073	2.4836	2.4864	6.7443	6.0300	5.9701		1.7520	1.7600
H15	2.7397	4.1144	2.1658	5.0340	1.0858	2.4798	4.3778	4.6607	2.5114	3.0548	6.0300	4.9362	5.1868	1.7520		1.7559
H16	2.6916	4.0747	2.1541	4.9792	1.0827	2.8504	4.6787	4.2808	3.0530	2.4926	5.9701	5.1868	4.8255	1.7600	1.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.873	N1	C2	H7	112.041
N1	C2	H8	108.039	N1	C3	C5	110.873
N1	C3	H9	112.041	N1	C3	H10	108.039
C2	N1	C3	116.934	C2	N1	H6	113.170
C2	C4	H11	110.982	C2	C4	H12	111.028
C2	C4	H13	110.277	C3	N1	H6	113.170
C3	C5	H14	110.982	C3	C5	H15	111.028
C3	C5	H16	110.277	C4	C2	H7	109.572
C4	C2	H8	109.621	C5	C3	H8	149.888
C5	C3	H10	109.621	H7	C2	H8	106.572
H9	C3	H10	106.572	H11	C4	H12	107.681
H11	C4	H13	108.635	H12	C4	H13	108.135
H14	C5	H15	107.681	H14	C5	H16	108.635
H15	C5	H16	108.135

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

using model chemistry: HF/6-31G

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	-0.762
2	C	-0.066
3	C	-0.066
4	C	-0.459
5	C	-0.459
6	H	0.314
7	H	0.125
8	H	0.159
9	H	0.125
10	H	0.159
11	H	0.151
12	H	0.143
13	H	0.171
14	H	0.151
15	H	0.143
16	H	0.171

	x	y	z	Total
	-0.907	0.349	0.000	0.972
CHELPG
AIM
ESP

	x	y	z
x	6.449	0.149	0.000
y	0.149	6.827	0.000
z	0.000	0.000	8.272

<r²>	187.740
(<r²>)^1/2	13.702

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

using model chemistry: HF/6-31G

States and conformations

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