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	hartrees
Energy at 0K	-187.651362
Energy at 298.15K	-187.656204
HF Energy	-186.962722
Nuclear repulsion energy	102.980269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3563	3365	5.13
2	A'	3133	2959	6.83
3	A'	2202	2080	2.29
4	A'	1687	1593	24.47
5	A'	1498	1415	6.12
6	A'	1378	1301	9.61
7	A'	1144	1081	12.68
8	A'	963	909	127.45
9	A'	865	817	57.10
10	A'	569	538	7.03
11	A'	215	203	12.58
12	A"	3658	3455	11.20
13	A"	3188	3011	1.26
14	A"	1407	1329	0.03
15	A"	1208	1141	0.05
16	A"	904	854	0.00
17	A"	397	375	12.16
18	A"	276	261	50.17

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.721	0.000
C2	0.000	0.833	0.000
C3	0.719	-0.453	0.000
N4	1.248	-1.501	0.000
H5	-1.749	0.187	0.810
H6	-1.749	0.187	-0.810
H7	0.313	1.403	0.877
H8	0.313	1.403	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4580	2.4693	3.4979	1.0140	1.0140	2.0870	2.0870
C2	1.4580		1.4736	2.6471	2.0331	2.0331	1.0915	1.0915
C3	2.4693	1.4736		1.1740	2.6751	2.6751	2.0927	2.0927
N4	3.4979	2.6471	1.1740		3.5338	3.5338	3.1747	3.1747
H5	1.0140	2.0331	2.6751	3.5338		1.6192	2.3954	2.9286
H6	1.0140	2.0331	2.6751	3.5338	1.6192		2.9286	2.3954
H7	2.0870	1.0915	2.0927	3.1747	2.3954	2.9286		1.7531
H8	2.0870	1.0915	2.0927	3.1747	2.9286	2.3954	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.766	N1	C2	H7	109.041
N1	C2	H8	109.041	C2	N1	H5	109.354
C2	N1	H6	109.354	C2	C3	N4	177.597
C3	C2	H7	108.426	C3	C2	H8	108.426
H5	N1	H6	105.964	H7	C2	H8	106.852

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)