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	hartrees
Energy at 0K	-187.277283
Energy at 298.15K	-187.281963
HF Energy	-186.852720
Nuclear repulsion energy	101.536965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3397	1.25
2	A'	3050	2926	15.32
3	A'	2269	2177	1.61
4	A'	1752	1681	29.50
5	A'	1530	1468	7.62
6	A'	1406	1349	3.37
7	A'	1114	1069	19.97
8	A'	891	855	75.69
9	A'	727	698	255.66
10	A'	549	526	29.85
11	A'	193	185	10.31
12	A"	3655	3507	3.53
13	A"	3092	2967	8.54
14	A"	1403	1347	0.06
15	A"	1222	1172	0.54
16	A"	904	868	0.00
17	A"	377	362	33.50
18	A"	256	246	41.81

Atom	x (Å)	y (Å)	z (Å)
N1	-1.468	0.724	0.000
C2	0.000	0.834	0.000
C3	0.742	-0.472	0.000
N4	1.275	-1.526	0.000
H5	-1.857	0.310	0.843
H6	-1.857	0.310	-0.843
H7	0.308	1.413	0.884
H8	0.308	1.413	-0.884

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4725	2.5129	3.5486	1.0162	1.0162	2.1006	2.1006
C2	1.4725		1.5014	2.6825	2.1056	2.1056	1.1012	1.1012
C3	2.5129	1.5014		1.1820	2.8416	2.8416	2.1266	2.1266
N4	3.5486	2.6825	1.1820		3.7273	3.7273	3.2184	3.2184
H5	1.0162	2.1056	2.8416	3.7273		1.6850	2.4306	2.9812
H6	1.0162	2.1056	2.8416	3.7273	1.6850		2.9812	2.4306
H7	2.1006	1.1012	2.1266	3.2184	2.4306	2.9812		1.7684
H8	2.1006	1.1012	2.1266	3.2184	2.9812	2.4306	1.7684

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.341	N1	C2	H7	108.550
N1	C2	H8	108.550	C2	N1	H5	114.322
C2	N1	H6	114.322	C2	C3	N4	177.222
C3	C2	H7	108.624	C3	C2	H8	108.624
H5	N1	H6	112.001	H7	C2	H8	106.830

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCD/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: CCD/6-31G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)