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	hartrees
Energy at 0K	-213.804405
Energy at 298.15K	-213.817155
HF Energy	-213.804405
Nuclear repulsion energy	188.812321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3385	0.12
2	A'	3144	3002	43.85
3	A'	3122	2982	66.30
4	A'	3063	2926	58.12
5	A'	3051	2913	12.91
6	A'	2949	2816	180.51
7	A'	1533	1464	2.53
8	A'	1504	1436	4.35
9	A'	1500	1432	15.74
10	A'	1448	1383	2.39
11	A'	1408	1344	2.29
12	A'	1336	1276	4.31
13	A'	1240	1184	1.97
14	A'	1179	1126	16.86
15	A'	1077	1029	7.43
16	A'	914	872	5.21
17	A'	840	802	1.12
18	A'	768	734	87.00
19	A'	434	415	0.33
20	A'	255	244	1.15
21	A'	195	187	0.89
22	A'	125	119	1.43
23	A"	3144	3002	9.99
24	A"	3122	2981	17.74
25	A"	3062	2924	1.66
26	A"	3050	2913	29.14
27	A"	2946	2813	12.73
28	A"	1526	1458	28.18
29	A"	1520	1451	0.10
30	A"	1500	1433	5.36
31	A"	1492	1425	12.63
32	A"	1424	1360	18.49
33	A"	1374	1312	17.10
34	A"	1297	1239	4.54
35	A"	1190	1136	49.23
36	A"	1127	1077	8.95
37	A"	1078	1030	1.55
38	A"	956	913	0.23
39	A"	818	781	0.53
40	A"	439	419	0.50
41	A"	259	247	0.66
42	A"	101	97	1.01

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.277	0.000
C2	0.017	0.516	1.217
C3	0.017	0.516	-1.217
C4	0.017	-0.371	2.450
C5	0.017	-0.371	-2.450
H6	-0.781	-0.902	0.000
H7	-0.835	1.216	1.261
H8	0.922	1.132	1.211
H9	-0.835	1.216	-1.261
H10	0.922	1.132	-1.211
H11	0.054	0.228	3.361
H12	-0.889	-0.983	2.492
H13	0.877	-1.042	2.436
H14	0.054	0.228	-3.361
H15	-0.889	-0.983	-2.492
H16	0.877	-1.042	-2.436

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4528	1.4528	2.4516	2.4516	1.0133	2.1322	2.0667	2.1322	2.0667	3.3990	2.7434	2.6944	3.3990	2.7434	2.6944
C2	1.4528		2.4336	1.5191	3.7724	2.0321	1.1036	1.0944	2.7119	2.6630	2.1638	2.1661	2.1576	4.5870	4.1012	4.0637
C3	1.4528	2.4336		3.7724	1.5191	2.0321	2.7119	2.6630	1.1036	1.0944	4.5870	4.1012	4.0637	2.1638	2.1661	2.1576
C4	2.4516	1.5191	3.7724		4.8995	2.6306	2.1586	2.1477	4.1247	4.0594	1.0913	1.0934	1.0908	5.8417	5.0609	5.0064
C5	2.4516	3.7724	1.5191	4.8995		2.6306	4.1247	4.0594	2.1586	2.1477	5.8417	5.0609	5.0064	1.0913	1.0934	1.0908
H6	1.0133	2.0321	2.0321	2.6306	2.6306		2.4658	2.9160	2.4658	2.9160	3.6429	2.4954	2.9502	3.6429	2.4954	2.9502
H7	2.1322	1.1036	2.7119	2.1586	4.1247	2.4658		1.7597	2.5214	3.0337	2.4855	2.5204	3.0681	4.8090	4.3495	4.6582
H8	2.0667	1.0944	2.6630	2.1477	4.0594	2.9160	1.7597		3.0337	2.4219	2.4886	3.0641	2.4959	4.7405	4.6323	4.2462
H9	2.1322	2.7119	1.1036	4.1247	2.1586	2.4658	2.5214	3.0337		1.7597	4.8090	4.3495	4.6582	2.4855	2.5204	3.0681
H10	2.0667	2.6630	1.0944	4.0594	2.1477	2.9160	3.0337	2.4219	1.7597		4.7405	4.6323	4.2462	2.4886	3.0641	2.4959
H11	3.3990	2.1638	4.5870	1.0913	5.8417	3.6429	2.4855	2.4886	4.8090	4.7405		1.7634	1.7737	6.7220	6.0506	5.9917
H12	2.7434	2.1661	4.1012	1.0934	5.0609	2.4954	2.5204	3.0641	4.3495	4.6323	1.7634		1.7675	6.0506	4.9836	5.2352
H13	2.6944	2.1576	4.0637	1.0908	5.0064	2.9502	3.0681	2.4959	4.6582	4.2462	1.7737	1.7675		5.9917	5.2352	4.8727
H14	3.3990	4.5870	2.1638	5.8417	1.0913	3.6429	4.8090	4.7405	2.4855	2.4886	6.7220	6.0506	5.9917		1.7634	1.7737
H15	2.7434	4.1012	2.1661	5.0609	1.0934	2.4954	4.3495	4.6323	2.5204	3.0641	6.0506	4.9836	5.2352	1.7634		1.7675
H16	2.6944	4.0637	2.1576	5.0064	1.0908	2.9502	4.6582	4.2462	3.0681	2.4959	5.9917	5.2352	4.8727	1.7737	1.7675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.138	N1	C2	H7	112.320
N1	C2	H8	107.629	N1	C3	C5	111.138
N1	C3	H9	112.320	N1	C3	H10	107.629
C2	N1	C3	113.766	C2	N1	H6	109.690
C2	C4	H11	110.906	C2	C4	H12	110.966
C2	C4	H13	110.443	C3	N1	H6	109.690
C3	C5	H14	110.906	C3	C5	H15	110.966
C3	C5	H16	110.443	C4	C2	H7	109.764
C4	C2	H8	109.450	C5	C3	H8	151.042
C5	C3	H10	109.450	H7	C2	H8	106.374
H9	C3	H10	106.374	H11	C4	H12	107.632
H11	C4	H13	108.752	H12	C4	H13	108.037
H14	C5	H15	107.632	H14	C5	H16	108.752
H15	C5	H16	108.037

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

using model chemistry: wB97X-D/TZVP

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	-0.268
2	C	-0.148
3	C	-0.148
4	C	-0.362
5	C	-0.362
6	H	0.191
7	H	0.085
8	H	0.111
9	H	0.085
10	H	0.111
11	H	0.118
12	H	0.106
13	H	0.128
14	H	0.118
15	H	0.106
16	H	0.128

	x	y	z	Total
	-0.830	0.431	0.000	0.936
CHELPG
AIM
ESP

	x	y	z
x	7.751	-0.019	0.000
y	-0.019	8.203	0.000
z	0.000	0.000	10.012

<r²>	186.708
(<r²>)^1/2	13.664

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

using model chemistry: wB97X-D/TZVP

States and conformations

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