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	hartrees
Energy at 0K	-187.582867
Energy at 298.15K	-187.587724
HF Energy	-186.959766
Nuclear repulsion energy	102.339161

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3506	3363	0.38
2	A'	3098	2972	13.83
3	A'	2314	2220	0.28
4	A'	1678	1610	17.64
5	A'	1477	1417	4.34
6	A'	1377	1321	17.49
7	A'	1148	1102	12.54
8	A'	983	943	142.74
9	A'	869	833	23.68
10	A'	564	541	8.57
11	A'	211	202	11.26
12	A"	3587	3442	2.01
13	A"	3149	3022	6.11
14	A"	1407	1350	0.20
15	A"	1206	1157	0.04
16	A"	902	865	0.29
17	A"	400	384	18.11
18	A"	284	272	41.69

Atom	x (Å)	y (Å)	z (Å)
N1	-1.459	0.739	0.000
C2	0.000	0.841	0.000
C3	0.723	-0.467	0.000
N4	1.246	-1.516	0.000
H5	-1.748	0.186	0.812
H6	-1.748	0.186	-0.812
H7	0.326	1.411	0.887
H8	0.326	1.411	-0.887

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4629	2.4937	3.5222	1.0240	1.0240	2.1039	2.1039
C2	1.4629		1.4950	2.6667	2.0358	2.0358	1.1034	1.1034
C3	2.4937	1.4950		1.1723	2.6820	2.6820	2.1147	2.1147
N4	3.5222	2.6667	1.1723		3.5386	3.5386	3.1941	3.1941
H5	1.0240	2.0358	2.6820	3.5386		1.6242	2.4101	2.9478
H6	1.0240	2.0358	2.6820	3.5386	1.6242		2.9478	2.4101
H7	2.1039	1.1034	2.1147	3.1941	2.4101	2.9478		1.7737
H8	2.1039	1.1034	2.1147	3.1941	2.9478	2.4101	1.7737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.925	N1	C2	H7	109.331
N1	C2	H8	109.331	C2	N1	H5	108.596
C2	N1	H6	108.596	C2	C3	N4	177.550
C3	C2	H7	107.990	C3	C2	H8	107.990
H5	N1	H6	104.939	H7	C2	H8	106.976

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)