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	hartrees
Energy at 0K	-213.618712
Energy at 298.15K	-213.631410
HF Energy	-213.618712
Nuclear repulsion energy	188.021854

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3538	3538	0.34
2	A'	3174	3174	36.26
3	A'	3155	3155	61.93
4	A'	3092	3092	60.21
5	A'	3078	3078	11.45
6	A'	2965	2965	171.55
7	A'	1583	1583	0.92
8	A'	1552	1552	3.63
9	A'	1541	1541	17.88
10	A'	1467	1467	5.87
11	A'	1452	1452	1.03
12	A'	1338	1338	2.38
13	A'	1263	1263	3.71
14	A'	1200	1200	14.77
15	A'	1099	1099	5.30
16	A'	918	918	1.67
17	A'	856	856	2.25
18	A'	657	657	127.70
19	A'	434	434	1.81
20	A'	254	254	1.28
21	A'	189	189	2.19
22	A'	106	106	1.72
23	A"	3174	3174	10.59
24	A"	3154	3154	14.58
25	A"	3092	3092	0.65
26	A"	3077	3077	23.77
27	A"	2962	2962	13.27
28	A"	1571	1571	2.83
29	A"	1554	1554	0.69
30	A"	1545	1545	14.00
31	A"	1522	1522	24.78
32	A"	1461	1461	20.56
33	A"	1397	1397	20.91
34	A"	1316	1316	4.89
35	A"	1227	1227	52.44
36	A"	1160	1160	9.63
37	A"	1101	1101	5.37
38	A"	979	979	0.07
39	A"	843	843	0.33
40	A"	437	437	0.61
41	A"	256	256	0.77
42	A"	115	115	1.40

Atom	x (Å)	y (Å)	z (Å)
N1	0.015	-0.246	0.000
C2	0.015	0.532	1.235
C3	0.015	0.532	-1.235
C4	0.015	-0.390	2.450
C5	0.015	-0.390	-2.450
H6	-0.689	-0.981	0.000
H7	-0.843	1.230	1.293
H8	0.920	1.151	1.239
H9	-0.843	1.230	-1.293
H10	0.920	1.151	-1.239
H11	0.058	0.182	3.380
H12	-0.894	-1.001	2.473
H13	0.876	-1.061	2.406
H14	0.058	0.182	-3.380
H15	-0.894	-1.001	-2.473
H16	0.876	-1.061	-2.406

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
N1		1.4598	1.4598	2.4539	2.4539	1.0175	2.1413	2.0748	2.1413	2.0748	3.4071	2.7409	2.6822	3.4071	2.7409	2.6822
C2	1.4598		2.4704	1.5249	3.7985	2.0760	1.1068	1.0965	2.7596	2.7060	2.1734	2.1701	2.1565	4.6285	4.1144	4.0667
C3	1.4598	2.4704		3.7985	1.5249	2.0760	2.7596	2.7060	1.1068	1.0965	4.6285	4.1144	4.0667	2.1734	2.1701	2.1565
C4	2.4539	1.5249	3.7985		4.8994	2.6163	2.1670	2.1589	4.1677	4.0986	1.0929	1.0956	1.0925	5.8577	5.0431	4.9767
C5	2.4539	3.7985	1.5249	4.8994		2.6163	4.1677	4.0986	2.1670	2.1589	5.8577	5.0431	4.9767	1.0929	1.0956	1.0925
H6	1.0175	2.0760	2.0760	2.6163	2.6163		2.5658	2.9441	2.5658	2.9441	3.6515	2.4816	2.8710	3.6515	2.4816	2.8710
H7	2.1413	1.1068	2.7596	2.1670	4.1677	2.5658		1.7651	2.5868	3.0861	2.5022	2.5239	3.0723	4.8731	4.3777	4.6782
H8	2.0748	1.0965	2.7060	2.1589	4.0986	2.9441	1.7651		3.0861	2.4774	2.5033	3.0735	2.5017	4.7972	4.6583	4.2637
H9	2.1413	2.7596	1.1068	4.1677	2.1670	2.5658	2.5868	3.0861		1.7651	4.8731	4.3777	4.6782	2.5022	2.5239	3.0723
H10	2.0748	2.7060	1.0965	4.0986	2.1589	2.9441	3.0861	2.4774	1.7651		4.7972	4.6583	4.2637	2.5033	3.0735	2.5017
H11	3.4071	2.1734	4.6285	1.0929	5.8577	3.6515	2.5022	2.5033	4.8731	4.7972		1.7688	1.7788	6.7596	6.0467	5.9741
H12	2.7409	2.1701	4.1144	1.0956	5.0431	2.4816	2.5239	3.0735	4.3777	4.6583	1.7688		1.7724	6.0467	4.9460	5.1904
H13	2.6822	2.1565	4.0667	1.0925	4.9767	2.8710	3.0723	2.5017	4.6782	4.2637	1.7788	1.7724		5.9741	5.1904	4.8117
H14	3.4071	4.6285	2.1734	5.8577	1.0929	3.6515	4.8731	4.7972	2.5022	2.5033	6.7596	6.0467	5.9741		1.7688	1.7788
H15	2.7409	4.1144	2.1701	5.0431	1.0956	2.4816	4.3777	4.6583	2.5239	3.0735	6.0467	4.9460	5.1904	1.7688		1.7724
H16	2.6822	4.0667	2.1565	4.9767	1.0925	2.8710	4.6782	4.2637	3.0723	2.5017	5.9741	5.1904	4.8117	1.7788	1.7724

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	110.585	N1	C2	H7	112.357
N1	C2	H8	107.667	N1	C3	C5	110.585
N1	C3	H9	112.357	N1	C3	H10	107.667
C2	N1	C3	115.593	C2	N1	H6	112.641
C2	C4	H11	111.168	C2	C4	H12	110.741
C2	C4	H13	109.853	C3	N1	H6	112.641
C3	C5	H14	111.168	C3	C5	H15	110.741
C3	C5	H16	109.853	C4	C2	H7	109.834
C4	C2	H8	109.805	C5	C3	H8	150.045
C5	C3	H10	109.805	H7	C2	H8	106.469
H9	C3	H10	106.469	H11	C4	H12	107.843
H11	C4	H13	108.959	H12	C4	H13	108.195
H14	C5	H15	107.843	H14	C5	H16	108.959
H15	C5	H16	108.195

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

using model chemistry: M06-2X/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	-0.610
2	C	-0.118
3	C	-0.118
4	C	-0.450
5	C	-0.450
6	H	0.285
7	H	0.118
8	H	0.154
9	H	0.118
10	H	0.154
11	H	0.149
12	H	0.141
13	H	0.168
14	H	0.149
15	H	0.141
16	H	0.168

	x	y	z	Total
	-0.892	0.288	0.000	0.937
CHELPG
AIM
ESP

	x	y	z
x	6.678	0.137	0.000
y	0.137	7.088	0.000
z	0.000	0.000	8.735

<r²>	187.720
(<r²>)^1/2	13.701

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

using model chemistry: M06-2X/6-31G

States and conformations

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