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	hartrees
Energy at 0K	-187.564053
Energy at 298.15K	-187.568902
HF Energy	-186.957460
Nuclear repulsion energy	102.370607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3524	3349	1.45
2	A'	3122	2967	11.80
3	A'	2182	2074	4.02
4	A'	1668	1585	18.69
5	A'	1473	1400	5.62
6	A'	1369	1301	13.84
7	A'	1151	1093	12.00
8	A'	978	930	132.52
9	A'	874	830	36.00
10	A'	564	536	8.97
11	A'	206	196	10.32
12	A"	3617	3438	4.96
13	A"	3182	3024	3.94
14	A"	1403	1334	0.23
15	A"	1204	1144	0.07
16	A"	901	857	0.14
17	A"	402	382	23.48
18	A"	282	268	37.67

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.733	0.000
C2	0.000	0.842	0.000
C3	0.723	-0.455	0.000
N4	1.243	-1.520	0.000
H5	-1.741	0.178	0.811
H6	-1.741	0.178	-0.811
H7	0.321	1.415	0.884
H8	0.321	1.415	-0.884

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4607	2.4822	3.5159	1.0225	1.0225	2.0987	2.0987
C2	1.4607		1.4842	2.6682	2.0314	2.0314	1.1010	1.1010
C3	2.4822	1.4842		1.1849	2.6693	2.6693	2.1064	2.1064
N4	3.5159	2.6682	1.1849		3.5269	3.5269	3.2000	3.2000
H5	1.0225	2.0314	2.6693	3.5269		1.6210	2.4048	2.9408
H6	1.0225	2.0314	2.6693	3.5269	1.6210		2.9408	2.4048
H7	2.0987	1.1010	2.1064	3.2000	2.4048	2.9408		1.7674
H8	2.0987	1.1010	2.1064	3.2000	2.9408	2.4048	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.884	N1	C2	H7	109.216
N1	C2	H8	109.216	C2	N1	H5	108.488
C2	N1	H6	108.488	C2	C3	N4	176.895
C3	C2	H7	108.223	C3	C2	H8	108.223
H5	N1	H6	104.870	H7	C2	H8	106.771

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)