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	hartrees
Energy at 0K	-187.225787
Energy at 298.15K	-187.230548
HF Energy	-186.855682
Nuclear repulsion energy	102.232514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3640	3413	3.35
2	A'	3127	2932	13.94
3	A'	2361	2214	0.02
4	A'	1783	1672	31.81
5	A'	1563	1466	8.69
6	A'	1442	1352	4.09
7	A'	1142	1071	23.21
8	A'	911	854	74.71
9	A'	711	667	283.66
10	A'	572	536	42.53
11	A'	208	195	11.15
12	A"	3755	3522	8.37
13	A"	3170	2973	7.48
14	A"	1432	1343	0.15
15	A"	1251	1173	0.85
16	A"	927	870	0.10
17	A"	389	365	24.03
18	A"	270	253	48.70

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.718	0.000
C2	0.000	0.827	0.000
C3	0.735	-0.473	0.000
N4	1.269	-1.515	0.000
H5	-1.858	0.329	0.840
H6	-1.858	0.329	-0.840
H7	0.310	1.401	0.878
H8	0.310	1.401	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4616	2.4953	3.5242	1.0086	1.0086	2.0889	2.0889
C2	1.4616		1.4939	2.6640	2.0994	2.0994	1.0939	1.0939
C3	2.4953	1.4939		1.1706	2.8419	2.8419	2.1127	2.1127
N4	3.5242	2.6640	1.1706		3.7268	3.7268	3.1924	3.1924
H5	1.0086	2.0994	2.8419	3.7268		1.6799	2.4195	2.9673
H6	1.0086	2.0994	2.8419	3.7268	1.6799		2.9673	2.4195
H7	2.0889	1.0939	2.1127	3.1924	2.4195	2.9673		1.7566
H8	2.0889	1.0939	2.1127	3.1924	2.9673	2.4195	1.7566

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.190	N1	C2	H7	108.800
N1	C2	H8	108.800	C2	N1	H5	115.168
C2	N1	H6	115.168	C2	C3	N4	177.660
C3	C2	H7	108.463	C3	C2	H8	108.463
H5	N1	H6	112.763	H7	C2	H8	106.810

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CISD/6-31G

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: CISD/6-31G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)