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	hartrees
Energy at 0K	-213.275584
Energy at 298.15K	-213.288248
HF Energy	-212.386754
Nuclear repulsion energy	188.204428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3494	3365
2	A'	3133	3018
3	A'	3113	2998
4	A'	3064	2951
5	A'	3041	2929
6	A'	2952	2844
7	A'	1541	1485
8	A'	1515	1459
9	A'	1502	1446
10	A'	1450	1397
11	A'	1414	1362
12	A'	1330	1281
13	A'	1249	1203
14	A'	1179	1136
15	A'	1069	1030
16	A'	915	882
17	A'	836	805
18	A'	799	769
19	A'	426	411
20	A'	253	244
21	A'	185	178
22	A'	108	104
23	A"	3133	3017
24	A"	3113	2998
25	A"	3061	2948
26	A"	3040	2928
27	A"	2949	2840
28	A"	1529	1472
29	A"	1515	1459
30	A"	1509	1454
31	A"	1490	1435
32	A"	1429	1376
33	A"	1369	1319
34	A"	1291	1243
35	A"	1166	1123
36	A"	1124	1082
37	A"	1073	1034
38	A"	948	913
39	A"	816	786
40	A"	426	410
41	A"	254	244
42	A"	92	89

Atom	x (Å)	y (Å)	z (Å)
N1	0.018	-0.293	0.000
C2	0.018	0.518	1.218
C3	0.018	0.518	-1.218
C4	0.018	-0.368	2.459
C5	0.018	-0.368	-2.459
H6	-0.814	-0.880	0.000
H7	-0.839	1.215	1.256
H8	0.927	1.130	1.203
H9	-0.839	1.215	-1.256
H10	0.927	1.130	-1.203
H11	0.060	0.238	3.368
H12	-0.893	-0.976	2.502
H13	0.879	-1.041	2.440
H14	0.060	0.238	-3.368
H15	-0.893	-0.976	-2.502
H16	0.879	-1.041	-2.440

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4637	1.4637	2.4601	2.4601	1.0183	2.1412	2.0731	2.1412	2.0731	3.4102	2.7489	2.6934	3.4102	2.7489	2.6934
C2	1.4637		2.4367	1.5247	3.7826	2.0328	1.1048	1.0959	2.7093	2.6573	2.1684	2.1700	2.1596	4.5953	4.1114	4.0688
C3	1.4637	2.4367		3.7826	1.5247	2.0328	2.7093	2.6573	1.1048	1.0959	4.5953	4.1114	4.0688	2.1684	2.1700	2.1596
C4	2.4601	1.5247	3.7826		4.9179	2.6459	2.1651	2.1562	4.1278	4.0592	1.0939	1.0954	1.0927	5.8588	5.0806	5.0194
C5	2.4601	3.7826	1.5247	4.9179		2.6459	4.1278	4.0592	2.1651	2.1562	5.8588	5.0806	5.0194	1.0939	1.0954	1.0927
H6	1.0183	2.0328	2.0328	2.6459	2.6459		2.4429	2.9186	2.4429	2.9186	3.6553	2.5054	2.9742	3.6553	2.5054	2.9742
H7	2.1412	1.1048	2.7093	2.1651	4.1278	2.4429		1.7686	2.5115	3.0279	2.4949	2.5211	3.0725	4.8107	4.3503	4.6580
H8	2.0731	1.0959	2.6573	2.1562	4.0592	2.9186	1.7686		3.0279	2.4051	2.4972	3.0714	2.4989	4.7368	4.6336	4.2405
H9	2.1412	2.7093	1.1048	4.1278	2.1651	2.4429	2.5115	3.0279		1.7686	4.8107	4.3503	4.6580	2.4949	2.5211	3.0725
H10	2.0731	2.6573	1.0959	4.0592	2.1562	2.9186	3.0279	2.4051	1.7686		4.7368	4.6336	4.2405	2.4972	3.0714	2.4989
H11	3.4102	2.1684	4.5953	1.0939	5.8588	3.6553	2.4949	2.4972	4.8107	4.7368		1.7697	1.7797	6.7364	6.0701	6.0035
H12	2.7489	2.1700	4.1114	1.0954	5.0806	2.5054	2.5211	3.0714	4.3503	4.6336	1.7697		1.7739	6.0701	5.0047	5.2508
H13	2.6934	2.1596	4.0688	1.0927	5.0194	2.9742	3.0725	2.4989	4.6580	4.2405	1.7797	1.7739		6.0035	5.2508	4.8802
H14	3.4102	4.5953	2.1684	5.8588	1.0939	3.6553	4.8107	4.7368	2.4949	2.4972	6.7364	6.0701	6.0035		1.7697	1.7797
H15	2.7489	4.1114	2.1700	5.0806	1.0954	2.5054	4.3503	4.6336	2.5211	3.0714	6.0701	5.0047	5.2508	1.7697		1.7739
H16	2.6934	4.0688	2.1596	5.0194	1.0927	2.9742	4.6580	4.2405	3.0725	2.4989	6.0035	5.2508	4.8802	1.7797	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.797	N1	C2	H7	112.194
N1	C2	H8	107.301	N1	C3	C5	110.797
N1	C3	H9	112.194	N1	C3	H10	107.301
C2	N1	C3	112.681	C2	N1	H6	108.641
C2	C4	H11	110.732	C2	C4	H12	110.771
C2	C4	H13	110.100	C3	N1	H6	108.641
C3	C5	H14	110.732	C3	C5	H15	110.771
C3	C5	H16	110.100	C4	C2	H7	109.823
C4	C2	H8	109.646	C5	C3	H8	151.056
C5	C3	H10	109.646	H7	C2	H8	106.953
H9	C3	H10	106.953	H11	C4	H12	107.873
H11	C4	H13	108.959	H12	C4	H13	108.332
H14	C5	H15	107.873	H14	C5	H16	108.959
H15	C5	H16	108.332

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

using model chemistry: QCISD(T)/TZVP

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(T)/TZVP

States and conformations

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