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	hartrees
Energy at 0K	-213.066504
Energy at 298.15K	-213.079285
HF Energy	-212.312313
Nuclear repulsion energy	188.086019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3474	3308	1.77
2	A'	3156	3006	47.33
3	A'	3133	2984	66.59
4	A'	3081	2934	50.44
5	A'	3063	2917	12.76
6	A'	2971	2829	146.42
7	A'	1581	1505	0.44
8	A'	1550	1476	2.79
9	A'	1541	1468	11.45
10	A'	1479	1408	3.01
11	A'	1439	1370	0.34
12	A'	1353	1289	4.31
13	A'	1275	1214	1.99
14	A'	1200	1143	13.73
15	A'	1095	1043	5.28
16	A'	934	890	13.73
17	A'	850	809	5.36
18	A'	813	774	68.17
19	A'	436	415	0.31
20	A'	268	255	1.37
21	A'	192	183	0.87
22	A'	116	110	1.51
23	A"	3156	3006	8.37
24	A"	3133	2984	18.71
25	A"	3077	2930	1.00
26	A"	3063	2917	29.31
27	A"	2966	2825	7.52
28	A"	1570	1495	4.03
29	A"	1554	1480	6.44
30	A"	1546	1472	8.49
31	A"	1524	1451	23.94
32	A"	1462	1393	12.19
33	A"	1397	1330	25.51
34	A"	1317	1254	3.38
35	A"	1195	1138	37.16
36	A"	1144	1090	8.60
37	A"	1097	1045	4.27
38	A"	971	925	0.27
39	A"	827	788	0.58
40	A"	437	416	0.65
41	A"	268	255	0.70
42	A"	113	107	1.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.290	0.000
C2	0.017	0.520	1.219
C3	0.017	0.520	-1.219
C4	0.017	-0.372	2.455
C5	0.017	-0.372	-2.455
H6	-0.825	-0.870	0.000
H7	-0.835	1.228	1.262
H8	0.930	1.134	1.206
H9	-0.835	1.228	-1.262
H10	0.930	1.134	-1.206
H11	0.061	0.228	3.373
H12	-0.894	-0.984	2.498
H13	0.880	-1.047	2.432
H14	0.061	0.228	-3.373
H15	-0.894	-0.984	-2.498
H16	0.880	-1.047	-2.432

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4635	1.4635	2.4563	2.4563	1.0229	2.1495	2.0769	2.1495	2.0769	3.4124	2.7479	2.6895	3.4124	2.7479	2.6895
C2	1.4635		2.4377	1.5244	3.7805	2.0320	1.1083	1.0993	2.7165	2.6628	2.1740	2.1744	2.1618	4.6010	4.1117	4.0659
C3	1.4635	2.4377		3.7805	1.5244	2.0320	2.7165	2.6628	1.1083	1.0993	4.6010	4.1117	4.0659	2.1740	2.1744	2.1618
C4	2.4563	1.5244	3.7805		4.9098	2.6428	2.1698	2.1580	4.1349	4.0625	1.0971	1.0986	1.0956	5.8585	5.0729	5.0085
C5	2.4563	3.7805	1.5244	4.9098		2.6428	4.1349	4.0625	2.1698	2.1580	5.8585	5.0729	5.0085	1.0971	1.0986	1.0956
H6	1.0229	2.0320	2.0320	2.6428	2.6428		2.4482	2.9239	2.4482	2.9239	3.6558	2.5013	2.9753	3.6558	2.5013	2.9753
H7	2.1495	1.1083	2.7165	2.1698	4.1349	2.4482		1.7679	2.5234	3.0355	2.5015	2.5339	3.0797	4.8248	4.3619	4.6648
H8	2.0769	1.0993	2.6628	2.1580	4.0625	2.9239	1.7679		3.0355	2.4130	2.5036	3.0783	2.5022	4.7481	4.6400	4.2425
H9	2.1495	2.7165	1.1083	4.1349	2.1698	2.4482	2.5234	3.0355		1.7679	4.8248	4.3619	4.6648	2.5015	2.5339	3.0797
H10	2.0769	2.6628	1.0993	4.0625	2.1580	2.9239	3.0355	2.4130	1.7679		4.7481	4.6400	4.2425	2.5036	3.0783	2.5022
H11	3.4124	2.1740	4.6010	1.0971	5.8585	3.6558	2.5015	2.5036	4.8248	4.7481		1.7733	1.7835	6.7453	6.0697	5.9995
H12	2.7479	2.1744	4.1117	1.0986	5.0729	2.5013	2.5339	3.0783	4.3619	4.6400	1.7733		1.7762	6.0697	4.9956	5.2398
H13	2.6895	2.1618	4.0659	1.0956	5.0085	2.9753	3.0797	2.5022	4.6648	4.2425	1.7835	1.7762		5.9995	5.2398	4.8646
H14	3.4124	4.6010	2.1740	5.8585	1.0971	3.6558	4.8248	4.7481	2.5015	2.5036	6.7453	6.0697	5.9995		1.7733	1.7835
H15	2.7479	4.1117	2.1744	5.0729	1.0986	2.5013	4.3619	4.6400	2.5339	3.0783	6.0697	4.9956	5.2398	1.7733		1.7762
H16	2.6895	4.0659	2.1618	5.0085	1.0956	2.9753	4.6648	4.2425	3.0797	2.5022	5.9995	5.2398	4.8646	1.7835	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.573	N1	C2	H7	112.670
N1	C2	H8	107.423	N1	C3	C5	110.573
N1	C3	H9	112.670	N1	C3	H10	107.423
C2	N1	C3	112.784	C2	N1	H6	108.315
C2	C4	H11	111.005	C2	C4	H12	110.951
C2	C4	H13	110.122	C3	N1	H6	108.315
C3	C5	H14	111.005	C3	C5	H15	110.951
C3	C5	H16	110.122	C4	C2	H7	110.005
C4	C2	H8	109.609	C5	C3	H8	150.849
C5	C3	H10	109.609	H7	C2	H8	106.412
H9	C3	H10	106.412	H11	C4	H12	107.729
H11	C4	H13	108.851	H12	C4	H13	108.089
H14	C5	H15	107.729	H14	C5	H16	108.851
H15	C5	H16	108.089

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

using model chemistry: QCISD/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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All results from a given calculation for NH(C2H5)2 (diethylamine)

using model chemistry: QCISD/6-31G*

States and conformations

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