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	hartrees
Energy at 0K	-187.755751
Energy at 298.15K	-187.760598
HF Energy	-187.014910
Nuclear repulsion energy	103.265572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3542	3333	3.16
2	A'	3100	2918	9.90
3	A'	2345	2207	0.05
4	A'	1692	1592	22.01
5	A'	1498	1410	5.03
6	A'	1391	1309	12.55
7	A'	1138	1072	12.92
8	A'	960	903	131.57
9	A'	857	807	48.47
10	A'	573	539	8.41
11	A'	218	206	12.79
12	A"	3623	3410	6.19
13	A"	3142	2958	3.24
14	A"	1412	1329	0.03
15	A"	1217	1146	0.02
16	A"	906	853	0.12
17	A"	390	367	8.45
18	A"	270	254	50.07

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.728	0.000
C2	0.000	0.829	0.000
C3	0.718	-0.467	0.000
N4	1.247	-1.495	0.000
H5	-1.761	0.208	0.810
H6	-1.761	0.208	-0.810
H7	0.322	1.391	0.875
H8	0.322	1.391	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4552	2.4773	3.4963	1.0112	1.0112	2.0862	2.0862
C2	1.4552		1.4820	2.6373	2.0358	2.0358	1.0888	1.0888
C3	2.4773	1.4820		1.1556	2.6944	2.6944	2.0919	2.0919
N4	3.4963	2.6373	1.1556		3.5503	3.5503	3.1542	3.1542
H5	1.0112	2.0358	2.6944	3.5503		1.6196	2.3972	2.9293
H6	1.0112	2.0358	2.6944	3.5503	1.6196		2.9293	2.3972
H7	2.0862	1.0888	2.0919	3.1542	2.3972	2.9293		1.7500
H8	2.0862	1.0888	2.0919	3.1542	2.9293	2.3972	1.7500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.005	N1	C2	H7	109.334
N1	C2	H8	109.334	C2	N1	H5	109.955
C2	N1	H6	109.955	C2	C3	N4	178.253
C3	C2	H7	107.949	C3	C2	H8	107.949
H5	N1	H6	106.421	H7	C2	H8	106.965

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)