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	hartrees
Energy at 0K	-213.745373
Energy at 298.15K	-213.758119
HF Energy	-213.745373
Nuclear repulsion energy	188.559523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3547	3547	0.78
2	A'	3164	3164	43.65
3	A'	3139	3139	64.21
4	A'	3071	3071	69.28
5	A'	3062	3062	10.26
6	A'	2953	2953	172.95
7	A'	1544	1544	0.80
8	A'	1515	1515	2.67
9	A'	1511	1511	13.44
10	A'	1458	1458	2.84
11	A'	1412	1412	0.80
12	A'	1342	1342	3.98
13	A'	1248	1248	1.71
14	A'	1184	1184	17.20
15	A'	1082	1082	5.86
16	A'	919	919	7.71
17	A'	840	840	1.69
18	A'	782	782	82.41
19	A'	435	435	0.33
20	A'	256	256	1.16
21	A'	196	196	0.99
22	A'	126	126	1.27
23	A"	3164	3164	9.97
24	A"	3139	3139	17.06
25	A"	3070	3070	2.44
26	A"	3061	3061	28.38
27	A"	2949	2949	11.89
28	A"	1535	1535	23.99
29	A"	1528	1528	2.99
30	A"	1512	1512	5.00
31	A"	1499	1499	16.81
32	A"	1432	1432	17.63
33	A"	1377	1377	23.64
34	A"	1300	1300	4.33
35	A"	1202	1202	44.48
36	A"	1128	1128	8.22
37	A"	1081	1081	3.35
38	A"	959	959	0.06
39	A"	818	818	0.54
40	A"	438	438	0.53
41	A"	262	262	0.80
42	A"	105	105	1.00

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.280	0.000
C2	0.017	0.518	1.216
C3	0.017	0.518	-1.216
C4	0.017	-0.372	2.451
C5	0.017	-0.372	-2.451
H6	-0.800	-0.885	0.000
H7	-0.833	1.225	1.263
H8	0.926	1.132	1.210
H9	-0.833	1.225	-1.263
H10	0.926	1.132	-1.210
H11	0.064	0.226	3.365
H12	-0.895	-0.979	2.498
H13	0.873	-1.052	2.430
H14	0.064	0.226	-3.365
H15	-0.895	-0.979	-2.498
H16	0.873	-1.052	-2.430

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4543	1.4543	2.4529	2.4529	1.0168	2.1411	2.0701	2.1411	2.0701	3.4034	2.7493	2.6894	3.4034	2.7493	2.6894
C2	1.4543		2.4318	1.5225	3.7736	2.0283	1.1067	1.0975	2.7147	2.6624	2.1695	2.1710	2.1608	4.5907	4.1063	4.0605
C3	1.4543	2.4318		3.7736	1.5225	2.0283	2.7147	2.6624	1.1067	1.0975	4.5907	4.1063	4.0605	2.1695	2.1710	2.1608
C4	2.4529	1.5225	3.7736		4.9024	2.6342	2.1644	2.1522	4.1319	4.0612	1.0935	1.0959	1.0930	5.8473	5.0687	5.0020
C5	2.4529	3.7736	1.5225	4.9024		2.6342	4.1319	4.0612	2.1644	2.1522	5.8473	5.0687	5.0020	1.0935	1.0959	1.0930
H6	1.0168	2.0283	2.0283	2.6342	2.6342		2.4597	2.9179	2.4597	2.9179	3.6478	2.5014	2.9551	3.6478	2.5014	2.9551
H7	2.1411	1.1067	2.7147	2.1644	4.1319	2.4597		1.7620	2.5269	3.0362	2.4939	2.5265	3.0746	4.8194	4.3597	4.6620
H8	2.0701	1.0975	2.6624	2.1522	4.0612	2.9179	1.7620		3.0362	2.4194	2.4922	3.0710	2.5023	4.7429	4.6387	4.2450
H9	2.1411	2.7147	1.1067	4.1319	2.1644	2.4597	2.5269	3.0362		1.7620	4.8194	4.3597	4.6620	2.4939	2.5265	3.0746
H10	2.0701	2.6624	1.0975	4.0612	2.1522	2.9179	3.0362	2.4194	1.7620		4.7429	4.6387	4.2450	2.4922	3.0710	2.5023
H11	3.4034	2.1695	4.5907	1.0935	5.8473	3.6478	2.4939	2.4922	4.8194	4.7429		1.7670	1.7781	6.7305	6.0619	5.9893
H12	2.7493	2.1710	4.1063	1.0959	5.0687	2.5014	2.5265	3.0710	4.3597	4.6387	1.7670		1.7706	6.0619	4.9958	5.2359
H13	2.6894	2.1608	4.0605	1.0930	5.0020	2.9551	3.0746	2.5023	4.6620	4.2450	1.7781	1.7706		5.9893	5.2359	4.8600
H14	3.4034	4.5907	2.1695	5.8473	1.0935	3.6478	4.8194	4.7429	2.4939	2.4922	6.7305	6.0619	5.9893		1.7670	1.7781
H15	2.7493	4.1063	2.1710	5.0687	1.0959	2.5014	4.3597	4.6387	2.5265	3.0710	6.0619	4.9958	5.2359	1.7670		1.7706
H16	2.6894	4.0605	2.1608	5.0020	1.0930	2.9551	4.6620	4.2450	3.0746	2.5023	5.9893	5.2359	4.8600	1.7781	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.960	N1	C2	H7	112.743
N1	C2	H8	107.614	N1	C3	C5	110.960
N1	C3	H9	112.743	N1	C3	H10	107.614
C2	N1	C3	113.460	C2	N1	H6	109.049
C2	C4	H11	110.997	C2	C4	H12	110.972
C2	C4	H13	110.335	C3	N1	H6	109.049
C3	C5	H14	110.997	C3	C5	H15	110.972
C3	C5	H16	110.335	C4	C2	H7	109.806
C4	C2	H8	109.394	C5	C3	H8	150.952
C5	C3	H10	109.394	H7	C2	H8	106.146
H9	C3	H10	106.146	H11	C4	H12	107.622
H11	C4	H13	108.827	H12	C4	H13	107.984
H14	C5	H15	107.622	H14	C5	H16	108.827
H15	C5	H16	107.984

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

using model chemistry: wB97X-D/6-31G**

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	-0.523
2	C	-0.060
3	C	-0.060
4	C	-0.382
5	C	-0.382
6	H	0.244
7	H	0.086
8	H	0.119
9	H	0.086
10	H	0.119
11	H	0.122
12	H	0.115
13	H	0.139
14	H	0.122
15	H	0.115
16	H	0.139

	x	y	z	Total
	-0.814	0.373	0.000	0.895
CHELPG
AIM
ESP

	x	y	z
x	6.912	0.130	0.000
y	0.130	7.247	0.000
z	0.000	0.000	9.089

<r²>	186.587
(<r²>)^1/2	13.660

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

using model chemistry: wB97X-D/6-31G**

States and conformations

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