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	hartrees
Energy at 0K	-210.795224
Energy at 298.15K	-210.807591
HF Energy	-210.706115
Nuclear repulsion energy	184.593524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3612	3612	13.34
2	A'	3538	3538	2.43
3	A'	3526	3526	4.13
4	A'	3454	3454	10.54
5	A'	3355	3355	1.30
6	A'	3319	3319	30.41
7	A'	1722	1722	1.56
8	A'	1706	1706	3.95
9	A'	1701	1701	2.34
10	A'	1602	1602	0.13
11	A'	1539	1539	1.14
12	A'	1433	1433	2.34
13	A'	1359	1359	2.81
14	A'	1249	1249	9.52
15	A'	1147	1147	0.46
16	A'	1025	1025	21.79
17	A'	898	898	1.94
18	A'	849	849	30.46
19	A'	437	437	0.11
20	A'	227	227	1.78
21	A'	193	193	0.87
22	A'	110	110	2.05
23	A"	3538	3538	0.49
24	A"	3526	3526	0.65
25	A"	3455	3455	0.08
26	A"	3356	3356	2.48
27	A"	3321	3321	2.91
28	A"	1720	1720	0.23
29	A"	1707	1707	0.07
30	A"	1698	1698	3.09
31	A"	1623	1623	7.50
32	A"	1597	1597	0.44
33	A"	1483	1483	46.46
34	A"	1402	1402	1.81
35	A"	1220	1220	3.06
36	A"	1181	1181	6.58
37	A"	1157	1157	4.87
38	A"	1026	1026	0.28
39	A"	873	873	0.96
40	A"	425	425	0.55
41	A"	227	227	0.50
42	A"	121	121	0.73

Atom	x (Å)	y (Å)	z (Å)
N1	0.020	-0.354	0.000
C2	0.020	0.525	1.235
C3	0.020	0.525	-1.235
C4	0.020	-0.356	2.516
C5	0.020	-0.356	-2.516
H6	-0.928	-0.827	0.000
H7	-0.841	1.228	1.262
H8	0.941	1.135	1.206
H9	-0.841	1.228	-1.262
H10	0.941	1.135	-1.206
H11	0.067	0.276	3.415
H12	-0.895	-0.965	2.568
H13	0.887	-1.031	2.511
H14	0.067	0.276	-3.415
H15	-0.895	-0.965	-2.568
H16	0.887	-1.031	-2.511

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.5162	1.5162	2.5160	2.5160	1.0591	2.1993	2.1262	2.1993	2.1262	3.4730	2.7935	2.7416	3.4730	2.7935	2.7416
C2	1.5162		2.4709	1.5544	3.8535	2.0621	1.1118	1.1054	2.7339	2.6800	2.1944	2.1983	2.1911	4.6575	4.1859	4.1485
C3	1.5162	2.4709		3.8535	1.5544	2.0621	2.7339	2.6800	1.1118	1.1054	4.6575	4.1859	4.1485	2.1944	2.1983	2.1911
C4	2.5160	1.5544	3.8535		5.0320	2.7295	2.1958	2.1880	4.1864	4.1142	1.1000	1.1002	1.0990	5.9649	5.2012	5.1458
C5	2.5160	3.8535	1.5544	5.0320		2.7295	4.1864	4.1142	2.1958	2.1880	5.9649	5.2012	5.1458	1.1000	1.1002	1.0990
H6	1.0591	2.0621	2.0621	2.7295	2.7295		2.4132	2.9660	2.4132	2.9660	3.7241	2.5717	3.1050	3.7241	2.5717	3.1050
H7	2.1993	1.1118	2.7339	2.1958	4.1864	2.4132		1.7857	2.5247	3.0462	2.5230	2.5528	3.1063	4.8590	4.4138	4.7253
H8	2.1262	1.1054	2.6800	2.1880	4.1142	2.9660	1.7857		3.0462	2.4124	2.5262	3.1041	2.5293	4.7811	4.6930	4.3026
H9	2.1993	2.7339	1.1118	4.1864	2.1958	2.4132	2.5247	3.0462		1.7857	4.8590	4.4138	4.7253	2.5230	2.5528	3.1063
H10	2.1262	2.6800	1.1054	4.1142	2.1880	2.9660	3.0462	2.4124	1.7857		4.7811	4.6930	4.3026	2.5262	3.1041	2.5293
H11	3.4730	2.1944	4.6575	1.1000	5.9649	3.7241	2.5230	2.5262	4.8590	4.7811		1.7843	1.7884	6.8303	6.1855	6.1238
H12	2.7935	2.1983	4.1859	1.1002	5.2012	2.5717	2.5528	3.1041	4.4138	4.6930	1.7843		1.7840	6.1855	5.1355	5.3827
H13	2.7416	2.1911	4.1485	1.0990	5.1458	3.1050	3.1063	2.5293	4.7253	4.3026	1.7884	1.7840		6.1238	5.3827	5.0222
H14	3.4730	4.6575	2.1944	5.9649	1.1000	3.7241	4.8590	4.7811	2.5230	2.5262	6.8303	6.1855	6.1238		1.7843	1.7884
H15	2.7935	4.1859	2.1983	5.2012	1.1002	2.5717	4.4138	4.6930	2.5528	3.1041	6.1855	5.1355	5.3827	1.7843		1.7840
H16	2.7416	4.1485	2.1911	5.1458	1.0990	3.1050	4.7253	4.3026	3.1063	2.5293	6.1238	5.3827	5.0222	1.7884	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.040	N1	C2	H7	112.718
N1	C2	H8	107.355	N1	C3	C5	110.040
N1	C3	H9	112.718	N1	C3	H10	107.355
C2	N1	C3	109.139	C2	N1	H6	105.007
C2	C4	H11	110.349	C2	C4	H12	110.647
C2	C4	H13	110.150	C3	N1	H6	105.007
C3	C5	H14	110.349	C3	C5	H15	110.647
C3	C5	H16	110.150	C4	C2	H7	109.781
C4	C2	H8	109.543	C5	C3	H8	151.587
C5	C3	H10	109.543	H7	C2	H8	107.302
H9	C3	H10	107.302	H11	C4	H12	108.380
H11	C4	H13	108.827	H12	C4	H13	108.429
H14	C5	H15	108.380	H14	C5	H16	108.827
H15	C5	H16	108.429

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

using model chemistry: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

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