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	hartrees
Energy at 0K	-213.726767
Energy at 298.15K	-213.739322
HF Energy	-213.726767
Nuclear repulsion energy	186.518619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3364	3351	2.60
2	A'	3026	3014	57.21
3	A'	3007	2995	83.21
4	A'	2954	2942	68.31
5	A'	2948	2937	9.42
6	A'	2818	2807	211.40
7	A'	1493	1487	1.03
8	A'	1469	1463	2.18
9	A'	1456	1451	14.41
10	A'	1385	1379	4.05
11	A'	1365	1359	0.59
12	A'	1284	1279	3.30
13	A'	1198	1193	1.24
14	A'	1123	1119	8.38
15	A'	1005	1001	5.11
16	A'	884	881	8.52
17	A'	809	806	0.98
18	A'	747	744	69.89
19	A'	410	409	0.08
20	A'	253	252	0.55
21	A'	181	181	0.68
22	A'	106	105	1.10
23	A"	3026	3014	13.44
24	A"	3006	2995	21.04
25	A"	2952	2941	30.38
26	A"	2945	2933	6.73
27	A"	2812	2801	19.69
28	A"	1482	1476	2.92
29	A"	1469	1464	4.68
30	A"	1464	1458	12.01
31	A"	1442	1436	9.36
32	A"	1373	1368	9.90
33	A"	1319	1314	33.00
34	A"	1251	1246	5.85
35	A"	1097	1093	35.69
36	A"	1078	1074	38.70
37	A"	1031	1027	0.03
38	A"	907	903	0.91
39	A"	795	792	0.25
40	A"	416	414	0.48
41	A"	254	253	0.81
42	A"	117	117	1.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.017	-0.281	0.000
C2	0.017	0.524	1.237
C3	0.017	0.524	-1.237
C4	0.017	-0.378	2.481
C5	0.017	-0.378	-2.481
H6	-0.816	-0.879	0.000
H7	-0.839	1.234	1.289
H8	0.930	1.142	1.230
H9	-0.839	1.234	-1.289
H10	0.930	1.142	-1.230
H11	0.081	0.220	3.402
H12	-0.905	-0.977	2.537
H13	0.870	-1.071	2.451
H14	0.081	0.220	-3.402
H15	-0.905	-0.977	-2.537
H16	0.870	-1.071	-2.451

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4755	1.4755	2.4833	2.4833	1.0258	2.1657	2.0907	2.1657	2.0907	3.4389	2.7883	2.7131	3.4389	2.7883	2.7131
C2	1.4755		2.4734	1.5374	3.8260	2.0476	1.1136	1.1026	2.7602	2.7018	2.1869	2.1903	2.1788	4.6486	4.1652	4.1078
C3	1.4755	2.4734		3.8260	1.5374	2.0476	2.7602	2.7018	1.1136	1.1026	4.6486	4.1652	4.1078	2.1869	2.1903	2.1788
C4	2.4833	1.5374	3.8260		4.9628	2.6650	2.1803	2.1707	4.1895	4.1133	1.0997	1.1016	1.0988	5.9137	5.1379	5.0536
C5	2.4833	3.8260	1.5374	4.9628		2.6650	4.1895	4.1133	2.1803	2.1707	5.9137	5.1379	5.0536	1.0997	1.1016	1.0988
H6	1.0258	2.0476	2.0476	2.6650	2.6650		2.4755	2.9407	2.4755	2.9407	3.6856	2.5408	2.9811	3.6856	2.5408	2.9811
H7	2.1657	1.1136	2.7602	2.1803	4.1895	2.4755		1.7727	2.5789	3.0799	2.5168	2.5399	3.0958	4.8866	4.4202	4.7146
H8	2.0907	1.1026	2.7018	2.1707	4.1133	2.9407	1.7727		3.0799	2.4598	2.5075	3.0939	2.5291	4.7981	4.6962	4.2961
H9	2.1657	2.7602	1.1136	4.1895	2.1803	2.4755	2.5789	3.0799		1.7727	4.8866	4.4202	4.7146	2.5168	2.5399	3.0958
H10	2.0907	2.7018	1.1026	4.1133	2.1707	2.9407	3.0799	2.4598	1.7727		4.7981	4.6962	4.2961	2.5075	3.0939	2.5291
H11	3.4389	2.1869	4.6486	1.0997	5.9137	3.6856	2.5168	2.5075	4.8866	4.7981		1.7761	1.7870	6.8031	6.1382	6.0455
H12	2.7883	2.1903	4.1652	1.1016	5.1379	2.5408	2.5399	3.0939	4.4202	4.6962	1.7761		1.7796	6.1382	5.0747	5.2960
H13	2.7131	2.1788	4.1078	1.0988	5.0536	2.9811	3.0958	2.5291	4.7146	4.2961	1.7870	1.7796		6.0455	5.2960	4.9029
H14	3.4389	4.6486	2.1869	5.9137	1.0997	3.6856	4.8866	4.7981	2.5168	2.5075	6.8031	6.1382	6.0455		1.7761	1.7870
H15	2.7883	4.1652	2.1903	5.1379	1.1016	2.5408	4.4202	4.6962	2.5399	3.0939	6.1382	5.0747	5.2960	1.7761		1.7796
H16	2.7131	4.1078	2.1788	5.0536	1.0988	2.9811	4.7146	4.2961	3.0958	2.5291	6.0455	5.2960	4.9029	1.7870	1.7796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.004	N1	C2	H7	112.792
N1	C2	H8	107.495	N1	C3	C5	111.004
N1	C3	H9	112.792	N1	C3	H10	107.495
C2	N1	C3	113.893	C2	N1	H6	108.552
C2	C4	H11	110.966	C2	C4	H12	111.117
C2	C4	H13	110.373	C3	N1	H6	108.552
C3	C5	H14	110.966	C3	C5	H15	111.117
C3	C5	H16	110.373	C4	C2	H7	109.624
C4	C2	H8	109.519	C5	C3	H8	150.860
C5	C3	H10	109.519	H7	C2	H8	106.237
H9	C3	H10	106.237	H11	C4	H12	107.578
H11	C4	H13	108.748	H12	C4	H13	107.949
H14	C5	H15	107.578	H14	C5	H16	108.748
H15	C5	H16	107.949

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

using model chemistry: BLYP/6-311G**

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	-0.353
2	C	-0.092
3	C	-0.092
4	C	-0.290
5	C	-0.290
6	H	0.169
7	H	0.073
8	H	0.101
9	H	0.073
10	H	0.101
11	H	0.099
12	H	0.094
13	H	0.106
14	H	0.099
15	H	0.094
16	H	0.106

	x	y	z	Total
	-0.751	0.399	0.000	0.850
CHELPG
AIM
ESP

	x	y	z
x	7.667	-0.015	0.000
y	-0.015	8.267	0.000
z	0.000	0.000	10.741

<r²>	191.528
(<r²>)^1/2	13.839

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

using model chemistry: BLYP/6-311G**

States and conformations

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