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	hartrees
Energy at 0K	-187.743955
Energy at 298.15K	-187.748753
HF Energy	-187.019527
Nuclear repulsion energy	103.129559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3545	3373	5.54
2	A'	3116	2965	7.82
3	A'	2191	2085	2.02
4	A'	1671	1590	23.10
5	A'	1487	1415	6.03
6	A'	1374	1307	10.36
7	A'	1130	1075	12.87
8	A'	948	902	102.92
9	A'	849	808	76.02
10	A'	567	539	9.04
11	A'	213	202	12.07
12	A"	3638	3462	12.20
13	A"	3167	3013	1.46
14	A"	1399	1331	0.04
15	A"	1205	1147	0.01
16	A"	900	856	0.08
17	A"	383	364	11.41
18	A"	264	251	48.63

Atom	x (Å)	y (Å)	z (Å)
N1	-1.446	0.725	0.000
C2	0.000	0.830	0.000
C3	0.721	-0.461	0.000
N4	1.241	-1.502	0.000
H5	-1.769	0.222	0.814
H6	-1.769	0.222	-0.814
H7	0.322	1.390	0.875
H8	0.322	1.390	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4495	2.4694	3.4895	1.0099	1.0099	2.0815	2.0815
C2	1.4495		1.4778	2.6411	2.0397	2.0397	1.0874	1.0874
C3	2.4694	1.4778		1.1640	2.7067	2.7067	2.0849	2.0849
N4	3.4895	2.6411	1.1640		3.5630	3.5630	3.1573	3.1573
H5	1.0099	2.0397	2.7067	3.5630		1.6284	2.3956	2.9305
H6	1.0099	2.0397	2.7067	3.5630	1.6284		2.9305	2.3956
H7	2.0815	1.0874	2.0849	3.1573	2.3956	2.9305		1.7494
H8	2.0815	1.0874	2.0849	3.1573	2.9305	2.3956	1.7494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.034	N1	C2	H7	109.443
N1	C2	H8	109.443	C2	N1	H5	110.799
C2	N1	H6	110.799	C2	C3	N4	177.393
C3	C2	H7	107.759	C3	C2	H8	107.759
H5	N1	H6	107.459	H7	C2	H8	107.100

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)