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	hartrees
Energy at 0K	-187.581953
Energy at 298.15K	-187.586733
HF Energy	-186.955854
Nuclear repulsion energy	102.663554

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3592	3374	3.59
2	A'	3157	2965	9.13
3	A'	2194	2061	2.58
4	A'	1706	1603	33.86
5	A'	1518	1426	5.77
6	A'	1398	1313	15.00
7	A'	1139	1070	14.86
8	A'	948	890	125.86
9	A'	853	801	87.41
10	A'	555	521	15.06
11	A'	204	191	11.51
12	A"	3700	3475	12.84
13	A"	3217	3022	2.63
14	A"	1412	1326	0.00
15	A"	1215	1141	0.04
16	A"	906	851	0.41
17	A"	382	359	22.16
18	A"	265	249	49.46

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.731	0.000
C2	0.000	0.831	0.000
C3	0.720	-0.461	0.000
N4	1.254	-1.514	0.000
H5	-1.780	0.231	0.818
H6	-1.780	0.231	-0.818
H7	0.314	1.396	0.876
H8	0.314	1.396	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4559	2.4776	3.5165	1.0127	1.0127	2.0810	2.0810
C2	1.4559		1.4789	2.6595	2.0488	2.0488	1.0885	1.0885
C3	2.4776	1.4789		1.1810	2.7198	2.7198	2.0925	2.0925
N4	3.5165	2.6595	1.1810		3.5948	3.5948	3.1807	3.1807
H5	1.0127	2.0488	2.7198	3.5948		1.6352	2.3971	2.9345
H6	1.0127	2.0488	2.7198	3.5948	1.6352		2.9345	2.3971
H7	2.0810	1.0885	2.0925	3.1807	2.3971	2.9345		1.7519
H8	2.0810	1.0885	2.0925	3.1807	2.9345	2.3971	1.7519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.172	N1	C2	H7	108.891
N1	C2	H8	108.891	C2	N1	H5	110.911
C2	N1	H6	110.911	C2	C3	N4	177.789
C3	C2	H7	108.215	C3	C2	H8	108.215
H5	N1	H6	107.678	H7	C2	H8	107.173

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)