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	hartrees
Energy at 0K	-187.269133
Energy at 298.15K	-187.273784
HF Energy	-186.849026
Nuclear repulsion energy	101.207492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3561	3383	3.04
2	A'	3091	2937	14.62
3	A'	2083	1979	9.58
4	A'	1754	1666	29.13
5	A'	1544	1467	7.72
6	A'	1413	1343	4.21
7	A'	1112	1057	22.28
8	A'	877	834	66.86
9	A'	715	679	267.45
10	A'	543	516	31.89
11	A'	186	176	8.81
12	A"	3685	3501	6.64
13	A"	3142	2985	7.66
14	A"	1411	1341	0.10
15	A"	1227	1166	0.65
16	A"	909	863	0.02
17	A"	379	360	40.83
18	A"	249	236	32.74

Atom	x (Å)	y (Å)	z (Å)
N1	-1.467	0.725	0.000
C2	0.000	0.839	0.000
C3	0.744	-0.463	0.000
N4	1.273	-1.543	0.000
H5	-1.858	0.317	0.843
H6	-1.858	0.317	-0.843
H7	0.304	1.417	0.882
H8	0.304	1.417	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4713	2.5104	3.5569	1.0151	1.0151	2.0956	2.0956
C2	1.4713		1.4998	2.7003	2.1061	2.1061	1.0975	1.0975
C3	2.5104	1.4998		1.2019	2.8446	2.8446	2.1234	2.1234
N4	3.5569	2.7003	1.2019		3.7382	3.7382	3.2371	3.2371
H5	1.0151	2.1061	2.8446	3.7382		1.6859	2.4261	2.9765
H6	1.0151	2.1061	2.8446	3.7382	1.6859		2.9765	2.4261
H7	2.0956	1.0975	2.1234	3.2371	2.4261	2.9765		1.7637
H8	2.0956	1.0975	2.1234	3.2371	2.9765	2.4261	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.324	N1	C2	H7	108.449
N1	C2	H8	108.449	C2	N1	H5	114.540
C2	N1	H6	114.540	C2	C3	N4	176.370
C3	C2	H7	108.691	C3	C2	H8	108.691
H5	N1	H6	112.281	H7	C2	H8	106.925

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/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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All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)