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	hartrees
Energy at 0K	-187.645588
Energy at 298.15K	-187.650456
HF Energy	-187.010038
Nuclear repulsion energy	103.436864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3582	3350	2.61
2	A'	3138	2935	10.35
3	A'	2438	2280	0.17
4	A'	1694	1585	26.84
5	A'	1503	1405	6.31
6	A'	1415	1324	16.03
7	A'	1146	1072	14.57
8	A'	975	911	142.43
9	A'	870	814	51.29
10	A'	577	540	11.78
11	A'	217	203	13.16
12	A"	3665	3428	5.13
13	A"	3184	2977	4.29
14	A"	1422	1330	0.10
15	A"	1219	1140	0.04
16	A"	919	859	0.59
17	A"	393	368	14.93
18	A"	277	259	51.18

Atom	x (Å)	y (Å)	z (Å)
N1	-1.452	0.722	0.000
C2	0.000	0.826	0.000
C3	0.721	-0.466	0.000
N4	1.247	-1.487	0.000
H5	-1.766	0.210	0.812
H6	-1.766	0.210	-0.812
H7	0.320	1.388	0.876
H8	0.320	1.388	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4559	2.4768	3.4888	1.0107	1.0107	2.0859	2.0859
C2	1.4559		1.4795	2.6282	2.0394	2.0394	1.0884	1.0884
C3	2.4768	1.4795		1.1491	2.7021	2.7021	2.0888	2.0888
N4	3.4888	2.6282	1.1491		3.5527	3.5527	3.1451	3.1451
H5	1.0107	2.0394	2.7021	3.5527		1.6249	2.3969	2.9310
H6	1.0107	2.0394	2.7021	3.5527	1.6249		2.9310	2.3969
H7	2.0859	1.0884	2.0888	3.1451	2.3969	2.9310		1.7512
H8	2.0859	1.0884	2.0888	3.1451	2.9310	2.3969	1.7512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.080	N1	C2	H7	109.283
N1	C2	H8	109.283	C2	N1	H5	110.236
C2	N1	H6	110.236	C2	C3	N4	178.123
C3	C2	H7	107.892	C3	C2	H8	107.892
H5	N1	H6	106.990	H7	C2	H8	107.115

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)