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	hartrees
Energy at 0K	-213.339047
Energy at 298.15K	-213.331035
HF Energy	-212.314047
Nuclear repulsion energy	189.174721

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3737	3521	0.39
2	A'	3283	3093	81.59
3	A'	3260	3071	120.77
4	A'	3227	3040	43.56
5	A'	3200	3015	23.77
6	A'	3122	2942	185.08
7	A'	1680	1582	0.02
8	A'	1644	1549	2.45
9	A'	1637	1542	8.38
10	A'	1585	1493	2.17
11	A'	1542	1453	0.16
12	A'	1446	1363	5.99
13	A'	1346	1268	2.66
14	A'	1280	1206	20.30
15	A'	1133	1067	5.93
16	A'	973	917	4.80
17	A'	898	846	6.18
18	A'	838	790	85.14
19	A'	453	427	0.56
20	A'	278	262	1.59
21	A'	201	190	0.94
22	A'	122	115	1.78
23	A"	3282	3092	11.19
24	A"	3259	3070	33.94
25	A"	3219	3033	1.68
26	A"	3199	3014	40.89
27	A"	3113	2933	5.70
28	A"	1671	1574	34.20
29	A"	1664	1567	8.06
30	A"	1642	1547	3.45
31	A"	1630	1536	10.68
32	A"	1563	1473	8.86
33	A"	1499	1412	32.95
34	A"	1407	1325	2.80
35	A"	1261	1188	50.91
36	A"	1220	1149	9.33
37	A"	1158	1091	0.46
38	A"	1010	952	0.53
39	A"	872	822	0.47
40	A"	459	433	0.36
41	A"	278	262	0.59
42	A"	117	110	1.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.289	0.000
C2	0.017	0.519	1.215
C3	0.017	0.519	-1.215
C4	0.017	-0.371	2.446
C5	0.017	-0.371	-2.446
H6	-0.822	-0.871	0.000
H7	-0.832	1.226	1.259
H8	0.928	1.129	1.202
H9	-0.832	1.226	-1.259
H10	0.928	1.129	-1.202
H11	0.062	0.225	3.362
H12	-0.892	-0.979	2.488
H13	0.876	-1.045	2.420
H14	0.062	0.225	-3.362
H15	-0.892	-0.979	-2.488
H16	0.876	-1.045	-2.420

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4592	1.4592	2.4473	2.4473	1.0215	2.1444	2.0696	2.1444	2.0696	3.4009	2.7373	2.6767	3.4009	2.7373	2.6767
C2	1.4592		2.4301	1.5193	3.7678	2.0282	1.1054	1.0959	2.7091	2.6535	2.1672	2.1661	2.1532	4.5864	4.0968	4.0493
C3	1.4592	2.4301		3.7678	1.5193	2.0282	2.7091	2.6535	1.1054	1.0959	4.5864	4.0968	4.0493	2.1672	2.1661	2.1532
C4	2.4473	1.5193	3.7678		4.8919	2.6338	2.1635	2.1514	4.1226	4.0479	1.0935	1.0946	1.0917	5.8383	5.0536	4.9866
C5	2.4473	3.7678	1.5193	4.8919		2.6338	4.1226	4.0479	2.1635	2.1514	5.8383	5.0536	4.9866	1.0935	1.0946	1.0917
H6	1.0215	2.0282	2.0282	2.6338	2.6338		2.4454	2.9165	2.4454	2.9165	3.6446	2.4912	2.9612	3.6446	2.4912	2.9612
H7	2.1444	1.1054	2.7091	2.1635	4.1226	2.4454		1.7632	2.5174	3.0264	2.4948	2.5248	3.0693	4.8114	4.3475	4.6480
H8	2.0696	1.0959	2.6535	2.1514	4.0479	2.9165	1.7632		3.0264	2.4033	2.4965	3.0677	2.4928	4.7319	4.6226	4.2244
H9	2.1444	2.7091	1.1054	4.1226	2.1635	2.4454	2.5174	3.0264		1.7632	4.8114	4.3475	4.6480	2.4948	2.5248	3.0693
H10	2.0696	2.6535	1.0959	4.0479	2.1514	2.9165	3.0264	2.4033	1.7632		4.7319	4.6226	4.2244	2.4965	3.0677	2.4928
H11	3.4009	2.1672	4.5864	1.0935	5.8383	3.6446	2.4948	2.4965	4.8114	4.7319		1.7672	1.7780	6.7233	6.0478	5.9749
H12	2.7373	2.1661	4.0968	1.0946	5.0536	2.4912	2.5248	3.0677	4.3475	4.6226	1.7672		1.7706	6.0478	4.9757	5.2168
H13	2.6767	2.1532	4.0493	1.0917	4.9866	2.9612	3.0693	2.4928	4.6480	4.2244	1.7780	1.7706		5.9749	5.2168	4.8396
H14	3.4009	4.5864	2.1672	5.8383	1.0935	3.6446	4.8114	4.7319	2.4948	2.4965	6.7233	6.0478	5.9749		1.7672	1.7780
H15	2.7373	4.0968	2.1661	5.0536	1.0946	2.4912	4.3475	4.6226	2.5248	3.0677	6.0478	4.9757	5.2168	1.7672		1.7706
H16	2.6767	4.0493	2.1532	4.9866	1.0917	2.9612	4.6480	4.2244	3.0693	2.4928	5.9749	5.2168	4.8396	1.7780	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.798	N1	C2	H7	112.332
N1	C2	H8	107.776	N1	C3	C5	110.798
N1	C3	H9	112.332	N1	C3	H10	107.776
C2	N1	C3	113.779	C2	N1	H6	109.124
C2	C4	H11	110.755	C2	C4	H12	111.130
C2	C4	H13	110.550	C3	N1	H6	109.124
C3	C5	H14	110.755	C3	C5	H15	111.130
C3	C5	H16	110.550	C4	C2	H7	109.738
C4	C2	H8	109.552	C5	C3	H8	151.038
C5	C3	H10	109.552	H7	C2	H8	106.507
H9	C3	H10	106.507	H11	C4	H12	107.641
H11	C4	H13	108.657	H12	C4	H13	107.998
H14	C5	H15	107.641	H14	C5	H16	108.657
H15	C5	H16	107.998

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

using model chemistry: G2

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: G2

States and conformations

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