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	hartrees
Energy at 0K	-213.172071
Energy at 298.15K	-213.184756
HF Energy	-212.352899
Nuclear repulsion energy	187.846546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3471	3342
2	A'	3112	2996
3	A'	3091	2975
4	A'	3045	2931
5	A'	3020	2907
6	A'	2930	2820
7	A'	1549	1491
8	A'	1521	1464
9	A'	1511	1455
10	A'	1448	1394
11	A'	1412	1360
12	A'	1339	1289
13	A'	1255	1208
14	A'	1176	1132
15	A'	1076	1036
16	A'	918	884
17	A'	835	803
18	A'	798	768
19	A'	430	414
20	A'	259	249
21	A'	189	182
22	A'	110	106
23	A"	3112	2996
24	A"	3090	2975
25	A"	3041	2927
26	A"	3019	2907
27	A"	2926	2816
28	A"	1538	1481
29	A"	1532	1475
30	A"	1516	1459
31	A"	1501	1444
32	A"	1432	1379
33	A"	1372	1320
34	A"	1297	1248
35	A"	1170	1127
36	A"	1122	1080
37	A"	1077	1037
38	A"	952	916
39	A"	807	777
40	A"	430	414
41	A"	260	251
42	A"	97	93

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.298	0.000
C2	0.018	0.519	1.218
C3	0.018	0.519	-1.218
C4	0.018	-0.368	2.461
C5	0.018	-0.368	-2.461
H6	-0.830	-0.865	0.000
H7	-0.839	1.224	1.255
H8	0.930	1.134	1.202
H9	-0.839	1.224	-1.255
H10	0.930	1.134	-1.202
H11	0.080	0.235	3.376
H12	-0.902	-0.967	2.518
H13	0.871	-1.056	2.430
H14	0.080	0.235	-3.376
H15	-0.902	-0.967	-2.518
H16	0.871	-1.056	-2.430

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4664	1.4664	2.4622	2.4622	1.0200	2.1502	2.0798	2.1502	2.0798	3.4185	2.7632	2.6850	3.4185	2.7632	2.6850
C2	1.4664		2.4353	1.5278	3.7844	2.0293	1.1095	1.1001	2.7098	2.6575	2.1779	2.1789	2.1633	4.6029	4.1245	4.0641
C3	1.4664	2.4353		3.7844	1.5278	2.0293	2.7098	2.6575	1.1095	1.1001	4.6029	4.1245	4.0641	2.1779	2.1789	2.1633
C4	2.4622	1.5278	3.7844		4.9224	2.6501	2.1732	2.1622	4.1325	4.0626	1.0978	1.0994	1.0963	5.8688	5.0989	5.0128
C5	2.4622	3.7844	1.5278	4.9224		2.6501	4.1325	4.0626	2.1732	2.1622	5.8688	5.0989	5.0128	1.0978	1.0994	1.0963
H6	1.0200	2.0293	2.0293	2.6501	2.6501		2.4369	2.9218	2.4369	2.9218	3.6657	2.5211	2.9725	3.6657	2.5211	2.9725
H7	2.1502	1.1095	2.7098	2.1732	4.1325	2.4369		1.7718	2.5099	3.0283	2.5140	2.5299	3.0824	4.8236	4.3635	4.6584
H8	2.0798	1.1001	2.6575	2.1622	4.0626	2.9218	1.7718		3.0283	2.4032	2.5015	3.0830	2.5115	4.7418	4.6484	4.2413
H9	2.1502	2.7098	1.1095	4.1325	2.1732	2.4369	2.5099	3.0283		1.7718	4.8236	4.3635	4.6584	2.5140	2.5299	3.0824
H10	2.0798	2.6575	1.1001	4.0626	2.1622	2.9218	3.0283	2.4032	1.7718		4.7418	4.6484	4.2413	2.5015	3.0830	2.5115
H11	3.4185	2.1779	4.6029	1.0978	5.8688	3.6657	2.5140	2.5015	4.8236	4.7418		1.7742	1.7853	6.7521	6.0953	6.0005
H12	2.7632	2.1789	4.1245	1.0994	5.0989	2.5211	2.5299	3.0830	4.3635	4.6484	1.7742		1.7778	6.0953	5.0361	5.2572
H13	2.6850	2.1633	4.0641	1.0963	5.0128	2.9725	3.0824	2.5115	4.6584	4.2413	1.7853	1.7778		6.0005	5.2572	4.8605
H14	3.4185	4.6029	2.1779	5.8688	1.0978	3.6657	4.8236	4.7418	2.5140	2.5015	6.7521	6.0953	6.0005		1.7742	1.7853
H15	2.7632	4.1245	2.1789	5.0989	1.0994	2.5211	4.3635	4.6484	2.5299	3.0830	6.0953	5.0361	5.2572	1.7742		1.7778
H16	2.6850	4.0641	2.1633	5.0128	1.0963	2.9725	4.6584	4.2413	3.0824	2.5115	6.0005	5.2572	4.8605	1.7853	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.622	N1	C2	H7	112.439
N1	C2	H8	107.406	N1	C3	C5	110.622
N1	C3	H9	112.439	N1	C3	H10	107.406
C2	N1	C3	112.275	C2	N1	H6	108.058
C2	C4	H11	111.032	C2	C4	H12	111.015
C2	C4	H13	109.961	C3	N1	H6	108.058
C3	C5	H14	111.032	C3	C5	H15	111.015
C3	C5	H16	109.961	C4	C2	H7	109.967
C4	C2	H8	109.654	C5	C3	H8	151.078
C5	C3	H10	109.654	H7	C2	H8	106.616
H9	C3	H10	106.616	H11	C4	H12	107.706
H11	C4	H13	108.914	H12	C4	H13	108.124
H14	C5	H15	107.706	H14	C5	H16	108.914
H15	C5	H16	108.124

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

using model chemistry: CCSD(T)/6-311G*

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: CCSD(T)/6-311G*

States and conformations

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