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	hartrees
Energy at 0K	-187.661484
Energy at 298.15K	-187.666342
HF Energy	-186.981665
Nuclear repulsion energy	102.861330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3565	3377	1.31
2	A'	3122	2957	10.31
3	A'	2191	2075	3.58
4	A'	1750	1657	36.25
5	A'	1512	1432	9.36
6	A'	1394	1320	8.94
7	A'	1152	1091	16.45
8	A'	977	925	180.53
9	A'	873	827	44.94
10	A'	572	541	11.19
11	A'	214	203	11.98
12	A"	3661	3467	5.07
13	A"	3175	3007	3.67
14	A"	1428	1352	0.07
15	A"	1230	1165	0.03
16	A"	910	862	0.04
17	A"	399	378	22.71
18	A"	279	265	49.43

Atom	x (Å)	y (Å)	z (Å)
N1	-1.453	0.727	0.000
C2	0.000	0.831	0.000
C3	0.722	-0.458	0.000
N4	1.248	-1.508	0.000
H5	-1.763	0.215	0.816
H6	-1.763	0.215	-0.816
H7	0.315	1.401	0.877
H8	0.315	1.401	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4564	2.4765	3.5050	1.0121	1.0121	2.0849	2.0849
C2	1.4564		1.4782	2.6513	2.0384	2.0384	1.0919	1.0919
C3	2.4765	1.4782		1.1738	2.7009	2.7009	2.0960	2.0960
N4	3.5050	2.6513	1.1738		3.5637	3.5637	3.1785	3.1785
H5	1.0121	2.0384	2.7009	3.5637		1.6319	2.3935	2.9310
H6	1.0121	2.0384	2.7009	3.5637	1.6319		2.9310	2.3935
H7	2.0849	1.0919	2.0960	3.1785	2.3935	2.9310		1.7534
H8	2.0849	1.0919	2.0960	3.1785	2.9310	2.3935	1.7534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.104	N1	C2	H7	108.961
N1	C2	H8	108.961	C2	N1	H5	110.030
C2	N1	H6	110.030	C2	C3	N4	177.384
C3	C2	H7	108.343	C3	C2	H8	108.343
H5	N1	H6	107.461	H7	C2	H8	106.816

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/6-311G*

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: MP2=FULL/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)