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	hartrees
Energy at 0K	-213.661113
Energy at 298.15K	-213.673802
HF Energy	-213.661113
Nuclear repulsion energy	189.047231

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3515	3337	1.40
2	A'	3173	3013	41.24
3	A'	3151	2991	64.69
4	A'	3087	2930	64.05
5	A'	3077	2921	9.44
6	A'	2961	2811	173.39
7	A'	1559	1480	0.77
8	A'	1530	1453	2.46
9	A'	1520	1443	13.71
10	A'	1454	1381	3.22
11	A'	1414	1343	0.33
12	A'	1337	1270	3.97
13	A'	1250	1186	1.36
14	A'	1183	1123	16.16
15	A'	1086	1031	6.64
16	A'	917	870	9.07
17	A'	833	791	1.62
18	A'	784	744	80.20
19	A'	427	405	0.34
20	A'	260	247	1.17
21	A'	184	174	0.88
22	A'	112	106	1.18
23	A"	3173	3012	11.18
24	A"	3151	2991	15.21
25	A"	3085	2928	3.17
26	A"	3076	2920	26.30
27	A"	2957	2807	13.15
28	A"	1547	1468	6.46
29	A"	1532	1454	6.45
30	A"	1526	1449	10.38
31	A"	1503	1427	22.89
32	A"	1435	1362	13.70
33	A"	1373	1303	32.58
34	A"	1298	1232	3.88
35	A"	1199	1138	46.62
36	A"	1127	1070	7.84
37	A"	1081	1027	4.74
38	A"	963	914	0.09
39	A"	814	773	0.44
40	A"	423	401	0.57
41	A"	261	248	0.70
42	A"	120	114	1.20

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.281	0.000
C2	0.017	0.516	1.212
C3	0.017	0.516	-1.212
C4	0.017	-0.371	2.443
C5	0.017	-0.371	-2.443
H6	-0.803	-0.883	0.000
H7	-0.831	1.224	1.259
H8	0.925	1.129	1.203
H9	-0.831	1.224	-1.259
H10	0.925	1.129	-1.203
H11	0.061	0.227	3.357
H12	-0.892	-0.979	2.491
H13	0.874	-1.047	2.425
H14	0.061	0.227	-3.357
H15	-0.892	-0.979	-2.491
H16	0.874	-1.047	-2.425

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4503	1.4503	2.4451	2.4451	1.0167	2.1375	2.0639	2.1375	2.0639	3.3955	2.7417	2.6831	3.3955	2.7417	2.6831
C2	1.4503		2.4238	1.5173	3.7613	2.0238	1.1056	1.0959	2.7068	2.6518	2.1650	2.1670	2.1555	4.5783	4.0951	4.0496
C3	1.4503	2.4238		3.7613	1.5173	2.0238	2.7068	2.6518	1.1056	1.0959	4.5783	4.0951	4.0496	2.1650	2.1670	2.1555
C4	2.4451	1.5173	3.7613		4.8870	2.6276	2.1595	2.1478	4.1196	4.0459	1.0925	1.0947	1.0918	5.8314	5.0539	4.9889
C5	2.4451	3.7613	1.5173	4.8870		2.6276	4.1196	4.0459	2.1595	2.1478	5.8314	5.0539	4.9889	1.0925	1.0947	1.0918
H6	1.0167	2.0238	2.0238	2.6276	2.6276		2.4544	2.9118	2.4544	2.9118	3.6397	2.4941	2.9522	3.6397	2.4941	2.9522
H7	2.1375	1.1056	2.7068	2.1595	4.1196	2.4544		1.7591	2.5185	3.0254	2.4881	2.5248	3.0692	4.8063	4.3498	4.6510
H8	2.0639	1.0959	2.6518	2.1478	4.0459	2.9118	1.7591		3.0254	2.4057	2.4901	3.0667	2.4961	4.7279	4.6248	4.2304
H9	2.1375	2.7068	1.1056	4.1196	2.1595	2.4544	2.5185	3.0254		1.7591	4.8063	4.3498	4.6510	2.4881	2.5248	3.0692
H10	2.0639	2.6518	1.0959	4.0459	2.1478	2.9118	3.0254	2.4057	1.7591		4.7279	4.6248	4.2304	2.4901	3.0667	2.4961
H11	3.3955	2.1650	4.5783	1.0925	5.8314	3.6397	2.4881	2.4901	4.8063	4.7279		1.7646	1.7755	6.7141	6.0464	5.9757
H12	2.7417	2.1670	4.0951	1.0947	5.0539	2.4941	2.5248	3.0667	4.3498	4.6248	1.7646		1.7679	6.0464	4.9814	5.2230
H13	2.6831	2.1555	4.0496	1.0918	4.9889	2.9522	3.0692	2.4961	4.6510	4.2304	1.7755	1.7679		5.9757	5.2230	4.8490
H14	3.3955	4.5783	2.1650	5.8314	1.0925	3.6397	4.8063	4.7279	2.4881	2.4901	6.7141	6.0464	5.9757		1.7646	1.7755
H15	2.7417	4.0951	2.1670	5.0539	1.0947	2.4941	4.3498	4.6248	2.5248	3.0667	6.0464	4.9814	5.2230	1.7646		1.7679
H16	2.6831	4.0496	2.1555	4.9889	1.0918	2.9522	4.6510	4.2304	3.0692	2.4961	5.9757	5.2230	4.8490	1.7755	1.7679

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.943	N1	C2	H7	112.808
N1	C2	H8	107.496	N1	C3	C5	110.943
N1	C3	H9	112.808	N1	C3	H10	107.496
C2	N1	C3	113.365	C2	N1	H6	108.970
C2	C4	H11	111.061	C2	C4	H12	111.093
C2	C4	H13	110.347	C3	N1	H6	108.970
C3	C5	H14	111.061	C3	C5	H15	111.093
C3	C5	H16	110.347	C4	C2	H7	109.839
C4	C2	H8	109.495	C5	C3	H8	150.960
C5	C3	H10	109.495	H7	C2	H8	106.079
H9	C3	H10	106.079	H11	C4	H12	107.566
H11	C4	H13	108.747	H12	C4	H13	107.913
H14	C5	H15	107.566	H14	C5	H16	108.747
H15	C5	H16	107.913

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

using model chemistry: B1B95/6-31G*

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	-0.565
2	C	-0.150
3	C	-0.150
4	C	-0.498
5	C	-0.498
6	H	0.302
7	H	0.127
8	H	0.159
9	H	0.127
10	H	0.159
11	H	0.162
12	H	0.154
13	H	0.177
14	H	0.162
15	H	0.154
16	H	0.177

	x	y	z	Total
	-0.820	0.368	0.000	0.898
CHELPG
AIM
ESP

	x	y	z
x	6.764	0.122	0.000
y	0.122	7.118	0.000
z	0.000	0.000	9.037

<r²>	185.641
(<r²>)^1/2	13.625

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

using model chemistry: B1B95/6-31G*

States and conformations

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