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	hartrees
Energy at 0K	-187.786648
Energy at 298.15K	-187.781164
HF Energy	-186.943863
Nuclear repulsion energy	103.864572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3759	3759	3.48
2	A'	3247	3247	14.80
3	A'	2611	2611	5.32
4	A'	1850	1850	30.73
5	A'	1610	1610	4.97
6	A'	1496	1496	19.44
7	A'	1198	1198	14.87
8	A'	1009	1009	229.58
9	A'	898	898	46.22
10	A'	625	625	10.71
11	A'	241	241	18.03
12	A"	3845	3845	7.75
13	A"	3294	3294	8.45
14	A"	1511	1511	0.00
15	A"	1302	1302	0.01
16	A"	970	970	0.02
17	A"	433	433	6.65
18	A"	299	299	70.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.442	0.729	0.000
C2	0.000	0.824	0.000
C3	0.718	-0.481	0.000
N4	1.241	-1.488	0.000
H5	-1.777	0.247	0.809
H6	-1.777	0.247	-0.809
H7	0.323	1.382	0.873
H8	0.323	1.382	-0.873

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4447	2.4755	3.4801	0.9993	0.9993	2.0740	2.0740
C2	1.4447		1.4896	2.6242	2.0361	2.0361	1.0849	1.0849
C3	2.4755	1.4896		1.1348	2.7227	2.7227	2.0947	2.0947
N4	3.4801	2.6242	1.1348		3.5746	3.5746	3.1371	3.1371
H5	0.9993	2.0361	2.7227	3.5746		1.6178	2.3879	2.9199
H6	0.9993	2.0361	2.7227	3.5746	1.6178		2.9199	2.3879
H7	2.0740	1.0849	2.0947	3.1371	2.3879	2.9199		1.7452
H8	2.0740	1.0849	2.0947	3.1371	2.9199	2.3879	1.7452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.048	N1	C2	H7	109.329
N1	C2	H8	109.329	C2	N1	H5	111.533
C2	N1	H6	111.533	C2	C3	N4	178.597
C3	C2	H7	107.873	C3	C2	H8	107.873
H5	N1	H6	108.086	H7	C2	H8	107.092

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)