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	hartrees
Energy at 0K	-187.627596
Energy at 298.15K	-187.632396
HF Energy	-186.972639
Nuclear repulsion energy	102.291151

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3508	2.67
2	A'	3090	3090	10.86
3	A'	2310	2310	0.12
4	A'	1671	1671	21.68
5	A'	1473	1473	4.31
6	A'	1364	1364	15.54
7	A'	1128	1128	12.04
8	A'	950	950	114.01
9	A'	848	848	48.16
10	A'	561	561	9.21
11	A'	213	213	13.28
12	A"	3594	3594	5.57
13	A"	3138	3138	3.78
14	A"	1391	1391	0.04
15	A"	1198	1198	0.02
16	A"	895	895	0.22
17	A"	381	381	8.12
18	A"	263	263	50.09

Atom	x (Å)	y (Å)	z (Å)
N1	-1.461	0.739	0.000
C2	0.000	0.837	0.000
C3	0.723	-0.472	0.000
N4	1.257	-1.514	0.000
H5	-1.777	0.215	0.817
H6	-1.777	0.215	-0.817
H7	0.323	1.404	0.886
H8	0.323	1.404	-0.886

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4646	2.4970	3.5302	1.0200	1.0200	2.1006	2.1006
C2	1.4646		1.4948	2.6654	2.0520	2.0520	1.1007	1.1007
C3	2.4970	1.4948		1.1708	2.7181	2.7181	2.1125	2.1125
N4	3.5302	2.6654	1.1708		3.5865	3.5865	3.1887	3.1887
H5	1.0200	2.0520	2.7181	3.5865		1.6331	2.4142	2.9535
H6	1.0200	2.0520	2.7181	3.5865	1.6331		2.9535	2.4142
H7	2.1006	1.1007	2.1125	3.1887	2.4142	2.9535		1.7726
H8	2.1006	1.1007	2.1125	3.1887	2.9535	2.4142	1.7726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.075	N1	C2	H7	109.118
N1	C2	H8	109.118	C2	N1	H5	110.076
C2	N1	H6	110.076	C2	C3	N4	178.248
C3	C2	H7	107.996	C3	C2	H8	107.996
H5	N1	H6	106.370	H7	C2	H8	107.262

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCSD=FULL/aug-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: CCSD=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)