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	hartrees
Energy at 0K	-211.590424
Energy at 298.15K	-211.603245
HF Energy	-211.137259
Nuclear repulsion energy	186.929459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3272	1.66
2	A'	3211	2991	41.66
3	A'	3186	2968	63.73
4	A'	3148	2932	32.08
5	A'	3126	2912	12.81
6	A'	3037	2829	129.40
7	A'	1648	1535	0.71
8	A'	1623	1512	3.15
9	A'	1613	1502	12.84
10	A'	1514	1410	6.19
11	A'	1494	1392	0.26
12	A'	1393	1298	1.76
13	A'	1306	1217	4.16
14	A'	1219	1136	10.08
15	A'	1055	982	0.85
16	A'	947	882	10.28
17	A'	879	819	2.91
18	A'	747	696	100.90
19	A'	431	402	0.58
20	A'	270	251	1.63
21	A'	189	176	1.41
22	A'	106	99	1.93
23	A"	3211	2991	7.24
24	A"	3185	2968	18.08
25	A"	3143	2928	1.52
26	A"	3124	2910	22.84
27	A"	3032	2825	5.17
28	A"	1638	1526	2.34
29	A"	1623	1512	1.26
30	A"	1616	1506	6.10
31	A"	1573	1466	12.85
32	A"	1512	1408	11.81
33	A"	1439	1341	29.21
34	A"	1373	1279	4.64
35	A"	1189	1108	0.10
36	A"	1172	1092	59.85
37	A"	1113	1037	0.25
38	A"	956	891	0.14
39	A"	867	808	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)