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	hartrees
Energy at 0K	-187.581401
Energy at 298.15K	-187.586260
HF Energy	-186.960014
Nuclear repulsion energy	102.386490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3508	3323	0.40
2	A'	3100	2937	13.51
3	A'	2329	2206	0.44
4	A'	1679	1591	17.72
5	A'	1477	1399	4.39
6	A'	1378	1305	17.34
7	A'	1150	1089	12.50
8	A'	985	933	141.71
9	A'	870	825	24.43
10	A'	565	535	8.53
11	A'	211	200	11.25
12	A"	3590	3400	2.09
13	A"	3151	2985	5.89
14	A"	1408	1333	0.20
15	A"	1207	1143	0.04
16	A"	903	855	0.29
17	A"	400	379	17.98
18	A"	284	269	41.94

Atom	x (Å)	y (Å)	z (Å)
N1	-1.459	0.738	0.000
C2	0.000	0.841	0.000
C3	0.723	-0.467	0.000
N4	1.246	-1.515	0.000
H5	-1.748	0.185	0.812
H6	-1.748	0.185	-0.812
H7	0.326	1.411	0.887
H8	0.326	1.411	-0.887

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4627	2.4929	3.5203	1.0239	1.0239	2.1036	2.1036
C2	1.4627		1.4945	2.6648	2.0355	2.0355	1.1033	1.1033
C3	2.4929	1.4945		1.1709	2.6813	2.6813	2.1141	2.1141
N4	3.5203	2.6648	1.1709		3.5370	3.5370	3.1922	3.1922
H5	1.0239	2.0355	2.6813	3.5370		1.6240	2.4099	2.9475
H6	1.0239	2.0355	2.6813	3.5370	1.6240		2.9475	2.4099
H7	2.1036	1.1033	2.1141	3.1922	2.4099	2.9475		1.7734
H8	2.1036	1.1033	2.1141	3.1922	2.9475	2.4099	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.916	N1	C2	H7	109.336
N1	C2	H8	109.336	C2	N1	H5	108.604
C2	N1	H6	108.604	C2	C3	N4	177.569
C3	C2	H7	107.993	C3	C2	H8	107.993
H5	N1	H6	104.939	H7	C2	H8	106.968

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCSD/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: CCSD/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)