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	hartrees
Energy at 0K	-211.590424
Energy at 298.15K	-211.603230
HF Energy	-211.137259
Nuclear repulsion energy	186.929458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3269	1.66
2	A'	3211	2988	41.66
3	A'	3186	2965	63.73
4	A'	3148	2929	32.08
5	A'	3126	2909	12.81
6	A'	3037	2826	129.40
7	A'	1648	1533	0.71
8	A'	1623	1511	3.15
9	A'	1613	1500	12.84
10	A'	1514	1409	6.19
11	A'	1494	1390	0.26
12	A'	1393	1296	1.76
13	A'	1306	1215	4.16
14	A'	1219	1135	10.08
15	A'	1055	981	0.85
16	A'	947	881	10.28
17	A'	879	818	2.91
18	A'	747	695	100.90
19	A'	431	401	0.58
20	A'	270	251	1.63
21	A'	189	176	1.41
22	A'	106	99	1.93
23	A"	3211	2988	7.24
24	A"	3185	2964	18.08
25	A"	3143	2925	1.52
26	A"	3124	2907	22.84
27	A"	3032	2821	5.17
28	A"	1638	1524	2.34
29	A"	1623	1510	1.26
30	A"	1616	1504	6.10
31	A"	1573	1464	12.85
32	A"	1512	1407	11.81
33	A"	1439	1339	29.21
34	A"	1373	1277	4.64
35	A"	1189	1107	0.10
36	A"	1172	1090	59.85
37	A"	1113	1035	0.25
38	A"	956	890	0.14
39	A"	867	807	1.05
40	A"	434	404	1.25
41	A"	267	248	0.90
42	A"	118	110	1.49

Atom	x (Å)	y (Å)	z (Å)
N1	0.016	-0.269	0.000
C2	0.016	0.540	1.242
C3	0.016	0.540	-1.242
C4	0.016	-0.391	2.468
C5	0.016	-0.391	-2.468
H6	-0.774	-0.914	0.000
H7	-0.836	1.236	1.299
H8	0.927	1.142	1.239
H9	-0.836	1.236	-1.299
H10	0.927	1.142	-1.239
H11	0.086	0.183	3.394
H12	-0.903	-0.982	2.499
H13	0.864	-1.072	2.400
H14	0.086	0.183	-3.394
H15	-0.903	-0.982	-2.499
H16	0.864	-1.072	-2.400

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4821	1.4821	2.4710	2.4710	1.0197	2.1624	2.0875	2.1624	2.0875	3.4245	2.7561	2.6693	3.4245	2.7561	2.6693
C2	1.4821		2.4835	1.5399	3.8249	2.0688	1.1009	1.0923	2.7684	2.7107	2.1827	2.1775	2.1590	4.6499	4.1415	4.0722
C3	1.4821	2.4835		3.8249	1.5399	2.0688	2.7684	2.7107	1.1009	1.0923	4.6499	4.1415	4.0722	2.1827	2.1775	2.1590
C4	2.4710	1.5399	3.8249		4.9360	2.6435	2.1769	2.1663	4.1907	4.1140	1.0916	1.0929	1.0898	5.8903	5.0853	4.9881
C5	2.4710	3.8249	1.5399	4.9360		2.6435	4.1907	4.1140	2.1769	2.1663	5.8903	5.0853	4.9881	1.0916	1.0929	1.0898
H6	1.0197	2.0688	2.0688	2.6435	2.6435		2.5120	2.9423	2.5120	2.9423	3.6687	2.5028	2.9102	3.6687	2.5028	2.9102
H7	2.1624	1.1009	2.7684	2.1769	4.1907	2.5120		1.7664	2.5979	3.0916	2.5191	2.5223	3.0706	4.8969	4.3982	4.6796
H8	2.0875	1.0923	2.7107	2.1663	4.1140	2.9423	1.7664		3.0916	2.4781	2.5044	3.0740	2.5014	4.8055	4.6726	4.2606
H9	2.1624	2.7684	1.1009	4.1907	2.1769	2.5120	2.5979	3.0916		1.7664	4.8969	4.3982	4.6796	2.5191	2.5223	3.0706
H10	2.0875	2.7107	1.0923	4.1140	2.1663	2.9423	3.0916	2.4781	1.7664		4.8055	4.6726	4.2606	2.5044	3.0740	2.5014
H11	3.4245	2.1827	4.6499	1.0916	5.8903	3.6687	2.5191	2.5044	4.8969	4.8055		1.7709	1.7801	6.7877	6.0873	5.9792
H12	2.7561	2.1775	4.1415	1.0929	5.0853	2.5028	2.5223	3.0740	4.3982	4.6726	1.7709		1.7720	6.0873	4.9971	5.2084
H13	2.6693	2.1590	4.0722	1.0898	4.9881	2.9102	3.0706	2.5014	4.6796	4.2606	1.7801	1.7720		5.9792	5.2084	4.8002
H14	3.4245	4.6499	2.1827	5.8903	1.0916	3.6687	4.8969	4.8055	2.5191	2.5044	6.7877	6.0873	5.9792		1.7709	1.7801
H15	2.7561	4.1415	2.1775	5.0853	1.0929	2.5028	4.3982	4.6726	2.5223	3.0740	6.0873	4.9971	5.2084	1.7709		1.7720
H16	2.6693	4.0722	2.1590	4.9881	1.0898	2.9102	4.6796	4.2606	3.0706	2.5014	5.9792	5.2084	4.8002	1.7801	1.7720

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	109.690	N1	C2	H7	112.853
N1	C2	H8	107.391	N1	C3	C5	109.690
N1	C3	H9	112.853	N1	C3	H10	107.391
C2	N1	C3	113.824	C2	N1	H6	110.191
C2	C4	H11	110.932	C2	C4	H12	110.443
C2	C4	H13	109.173	C3	N1	H6	110.191
C3	C5	H14	110.932	C3	C5	H15	110.443
C3	C5	H16	109.173	C4	C2	H7	109.922
C4	C2	H8	109.599	C5	C3	H8	149.674
C5	C3	H10	109.599	H7	C2	H8	107.292
H9	C3	H10	107.292	H11	C4	H12	108.322
H11	C4	H13	109.374	H12	C4	H13	108.553
H14	C5	H15	108.322	H14	C5	H16	109.374
H15	C5	H16	108.553

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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