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	hartrees
Energy at 0K	-212.626342
Energy at 298.15K	-212.638915
HF Energy	-212.626342
Nuclear repulsion energy	189.324087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3386	3349	0.48
2	A'	3083	3049	16.63
3	A'	3056	3022	36.34
4	A'	2972	2940	25.77
5	A'	2955	2922	44.51
6	A'	2813	2782	193.42
7	A'	1436	1420	2.72
8	A'	1404	1389	2.16
9	A'	1385	1369	21.14
10	A'	1361	1346	2.69
11	A'	1303	1288	2.76
12	A'	1250	1236	3.25
13	A'	1185	1172	3.26
14	A'	1124	1112	15.85
15	A'	1076	1065	12.91
16	A'	875	866	6.42
17	A'	790	781	3.50
18	A'	753	744	73.86
19	A'	425	420	0.33
20	A'	263	260	0.33
21	A'	175	173	0.59
22	A'	108	106	0.61
23	A"	3083	3049	8.66
24	A"	3056	3022	5.17
25	A"	2972	2940	20.55
26	A"	2958	2925	0.51
27	A"	2810	2779	22.92
28	A"	1432	1417	41.70
29	A"	1416	1401	2.30
30	A"	1398	1383	11.55
31	A"	1382	1367	5.39
32	A"	1323	1308	28.88
33	A"	1279	1265	29.27
34	A"	1211	1198	2.18
35	A"	1202	1189	31.84
36	A"	1071	1059	0.63
37	A"	1038	1027	14.75
38	A"	935	925	0.08
39	A"	777	768	0.18
40	A"	410	406	0.91
41	A"	262	259	0.86
42	A"	125	124	1.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.275	0.000
C2	0.017	0.512	1.202
C3	0.017	0.512	-1.202
C4	0.017	-0.369	2.424
C5	0.017	-0.369	-2.424
H6	-0.801	-0.904	0.000
H7	-0.840	1.243	1.252
H8	0.937	1.142	1.190
H9	-0.840	1.243	-1.252
H10	0.937	1.142	-1.190
H11	0.079	0.223	3.358
H12	-0.913	-0.976	2.477
H13	0.873	-1.074	2.387
H14	0.079	0.223	-3.358
H15	-0.913	-0.976	-2.477
H16	0.873	-1.074	-2.387

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4367	1.4367	2.4255	2.4255	1.0321	2.1459	2.0663	2.1459	2.0663	3.3956	2.7373	2.6591	3.3956	2.7373	2.6591
C2	1.4367		2.4047	1.5059	3.7315	2.0295	1.1274	1.1155	2.7006	2.6392	2.1762	2.1689	2.1565	4.5703	4.0764	4.0166
C3	1.4367	2.4047		3.7315	1.5059	2.0295	2.7006	2.6392	1.1274	1.1155	4.5703	4.0764	4.0166	2.1762	2.1689	2.1565
C4	2.4255	1.5059	3.7315		4.8473	2.6133	2.1691	2.1574	4.1042	4.0233	1.1082	1.1120	1.1092	5.8127	5.0250	4.9372
C5	2.4255	3.7315	1.5059	4.8473		2.6133	4.1042	4.0233	2.1691	2.1574	5.8127	5.0250	4.9372	1.1082	1.1120	1.1092
H6	1.0321	2.0295	2.0295	2.6133	2.6133		2.4854	2.9365	2.4854	2.9365	3.6500	2.4806	2.9209	3.6500	2.4806	2.9209
H7	2.1459	1.1274	2.7006	2.1691	4.1042	2.4854		1.7806	2.5044	3.0214	2.5139	2.5358	3.0965	4.8105	4.3402	4.6418
H8	2.0663	1.1155	2.6392	2.1574	4.0233	2.9365	1.7806		3.0214	2.3791	2.5073	3.0935	2.5199	4.7187	4.6212	4.2083
H9	2.1459	2.7006	1.1274	4.1042	2.1691	2.4854	2.5044	3.0214		1.7806	4.8105	4.3402	4.6418	2.5139	2.5358	3.0965
H10	2.0663	2.6392	1.1155	4.0233	2.1574	2.9365	3.0214	2.3791	1.7806		4.7187	4.6212	4.2083	2.5073	3.0935	2.5199
H11	3.3956	2.1762	4.5703	1.1082	5.8127	3.6500	2.5139	2.5073	4.8105	4.7187		1.7884	1.8042	6.7169	6.0394	5.9437
H12	2.7373	2.1689	4.0764	1.1120	5.0250	2.4806	2.5358	3.0935	4.3402	4.6212	1.7884		1.7910	6.0394	4.9541	5.1829
H13	2.6591	2.1565	4.0166	1.1092	4.9372	2.9209	3.0965	2.5199	4.6418	4.2083	1.8042	1.7910		5.9437	5.1829	4.7749
H14	3.3956	4.5703	2.1762	5.8127	1.1082	3.6500	4.8105	4.7187	2.5139	2.5073	6.7169	6.0394	5.9437		1.7884	1.8042
H15	2.7373	4.0764	2.1689	5.0250	1.1120	2.4806	4.3402	4.6212	2.5358	3.0935	6.0394	4.9541	5.1829	1.7884		1.7910
H16	2.6591	4.0166	2.1565	4.9372	1.1092	2.9209	4.6418	4.2083	3.0965	2.5199	5.9437	5.1829	4.7749	1.8042	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.009	N1	C2	H7	113.077
N1	C2	H8	107.451	N1	C3	C5	111.009
N1	C3	H9	113.077	N1	C3	H10	107.451
C2	N1	C3	113.625	C2	N1	H6	109.491
C2	C4	H11	111.809	C2	C4	H12	110.997
C2	C4	H13	110.183	C3	N1	H6	109.491
C3	C5	H14	111.809	C3	C5	H15	110.997
C3	C5	H16	110.183	C4	C2	H7	110.091
C4	C2	H8	109.882	C5	C3	H8	151.025
C5	C3	H10	109.882	H7	C2	H8	105.106
H9	C3	H10	105.106	H11	C4	H12	107.317
H11	C4	H13	108.905	H12	C4	H13	107.481
H14	C5	H15	107.317	H14	C5	H16	108.905
H15	C5	H16	107.481

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

using model chemistry: LSDA/cc-pVDZ

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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Number	Element	Mulliken
1	N	-0.176
2	C	-0.082
3	C	-0.082
4	C	-0.165
5	C	-0.165
6	H	0.097
7	H	0.027
8	H	0.060
9	H	0.027
10	H	0.060
11	H	0.065
12	H	0.062
13	H	0.073
14	H	0.065
15	H	0.062
16	H	0.073

	x	y	z	Total
	-0.659	0.150	0.000	0.675
CHELPG
AIM
ESP

	x	y	z
x	7.509	0.012	0.000
y	0.012	8.096	0.000
z	0.000	0.000	10.305

<r²>	184.439
(<r²>)^1/2	13.581

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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