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	hartrees
Energy at 0K	-32.966878
Energy at 298.15K	-32.971531
HF Energy	-32.552940
Nuclear repulsion energy	54.484598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3479	3395	1.14
2	A'	3036	2964	21.19
3	A'	1992	1944	11.62
4	A'	1732	1690	34.31
5	A'	1498	1462	8.11
6	A'	1394	1361	11.64
7	A'	1096	1069	23.93
8	A'	861	841	109.73
9	A'	750	732	199.87
10	A'	529	516	28.10
11	A'	195	190	9.49
12	A"	3614	3527	2.57
13	A"	3106	3031	11.64
14	A"	1386	1353	0.07
15	A"	1202	1173	0.88
16	A"	893	871	0.13
17	A"	352	344	32.60
18	A"	250	244	39.72

Atom	x (Å)	y (Å)	z (Å)
N1	-1.486	0.745	0.000
C2	0.000	0.851	0.000
C3	0.743	-0.477	0.000
N4	1.294	-1.562	0.000
H5	-1.867	0.316	0.844
H6	-1.867	0.316	-0.844
H7	0.308	1.420	0.889
H8	0.308	1.420	-0.889

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4895	2.5421	3.6121	1.0208	1.0208	2.1129	2.1129
C2	1.4895		1.5220	2.7377	2.1173	2.1173	1.0995	1.0995
C3	2.5421	1.5220		1.2162	2.8552	2.8552	2.1398	2.1398
N4	3.6121	2.7377	1.2162		3.7717	3.7717	3.2637	3.2637
H5	1.0208	2.1173	2.8552	3.7717		1.6884	2.4395	2.9921
H6	1.0208	2.1173	2.8552	3.7717	1.6884		2.9921	2.4395
H7	2.1129	1.0995	2.1398	3.2637	2.4395	2.9921		1.7777
H8	2.1129	1.0995	2.1398	3.2637	2.9921	2.4395	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.149	N1	C2	H7	108.451
N1	C2	H8	108.451	C2	N1	H5	113.705
C2	N1	H6	113.705	C2	C3	N4	177.696
C3	C2	H7	108.345	C3	C2	H8	108.345
H5	N1	H6	111.586	H7	C2	H8	107.882

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)