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	hartrees
Energy at 0K	-187.945764
Energy at 298.15K	-187.950545
HF Energy	-187.734905
Nuclear repulsion energy	102.620678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3513	3379	3.67
2	A'	3091	2973	10.10
3	A'	2258	2172	0.17
4	A'	1660	1597	22.60
5	A'	1461	1406	6.06
6	A'	1351	1299	12.07
7	A'	1113	1071	13.40
8	A'	930	894	98.57
9	A'	836	805	71.19
10	A'	562	540	10.21
11	A'	211	203	11.88
12	A"	3601	3463	8.44
13	A"	3139	3019	2.55
14	A"	1382	1329	0.02
15	A"	1191	1145	0.02
16	A"	892	858	0.03
17	A"	380	366	9.61
18	A"	260	250	47.80

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.729	0.000
C2	0.000	0.832	0.000
C3	0.724	-0.463	0.000
N4	1.254	-1.506	0.000
H5	-1.780	0.215	0.817
H6	-1.780	0.215	-0.817
H7	0.319	1.401	0.882
H8	0.319	1.401	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4609	2.4854	3.5142	1.0172	1.0172	2.0939	2.0939
C2	1.4609		1.4835	2.6534	2.0528	2.0528	1.0974	1.0974
C3	2.4854	1.4835		1.1704	2.7189	2.7189	2.1021	2.1021
N4	3.5142	2.6534	1.1704		3.5827	3.5827	3.1793	3.1793
H5	1.0172	2.0528	2.7189	3.5827		1.6330	2.4112	2.9488
H6	1.0172	2.0528	2.7189	3.5827	1.6330		2.9488	2.4112
H7	2.0939	1.0974	2.1021	3.1793	2.4112	2.9488		1.7645
H8	2.0939	1.0974	2.1021	3.1793	2.9488	2.4112	1.7645

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.153	N1	C2	H7	109.040
N1	C2	H8	109.040	C2	N1	H5	110.589
C2	N1	H6	110.589	C2	C3	N4	177.790
C3	C2	H7	108.141	C3	C2	H8	108.141
H5	N1	H6	106.785	H7	C2	H8	107.027

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULL/aug-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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)