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	hartrees
Energy at 0K	-187.675821
Energy at 298.15K	-187.680686
HF Energy	-186.965336
Nuclear repulsion energy	103.069640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3558	3371	2.90
2	A'	3118	2954	8.72
3	A'	2344	2221	0.06
4	A'	1704	1614	23.79
5	A'	1506	1427	5.06
6	A'	1393	1320	12.17
7	A'	1147	1086	12.85
8	A'	968	917	145.82
9	A'	864	819	40.96
10	A'	575	545	7.00
11	A'	221	209	13.78
12	A"	3641	3450	6.56
13	A"	3164	2998	2.83
14	A"	1417	1342	0.02
15	A"	1217	1153	0.03
16	A"	909	861	0.01
17	A"	401	380	8.06
18	A"	278	264	53.73

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.728	0.000
C2	0.000	0.831	0.000
C3	0.718	-0.466	0.000
N4	1.249	-1.498	0.000
H5	-1.758	0.200	0.810
H6	-1.758	0.200	-0.810
H7	0.321	1.397	0.878
H8	0.321	1.397	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4576	2.4790	3.5015	1.0137	1.0137	2.0899	2.0899
C2	1.4576		1.4829	2.6427	2.0359	2.0359	1.0921	1.0921
C3	2.4790	1.4829		1.1601	2.6893	2.6893	2.0969	2.0969
N4	3.5015	2.6427	1.1601		3.5468	3.5468	3.1635	3.1635
H5	1.0137	2.0359	2.6893	3.5468		1.6204	2.3996	2.9329
H6	1.0137	2.0359	2.6893	3.5468	1.6204		2.9329	2.3996
H7	2.0899	1.0921	2.0969	3.1635	2.3996	2.9329		1.7552
H8	2.0899	1.0921	2.0969	3.1635	2.9329	2.3996	1.7552

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.925	N1	C2	H7	109.256
N1	C2	H8	109.256	C2	N1	H5	109.625
C2	N1	H6	109.625	C2	C3	N4	178.233
C3	C2	H7	108.082	C3	C2	H8	108.082
H5	N1	H6	106.110	H7	C2	H8	106.941

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)