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	hartrees
Energy at 0K	-188.003031
Energy at 298.15K	-188.007853
HF Energy	-187.774045
Nuclear repulsion energy	103.216014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3370	3.07
2	A'	3094	2953	10.21
3	A'	2287	2182	0.11
4	A'	1683	1606	28.21
5	A'	1485	1417	7.73
6	A'	1389	1325	11.41
7	A'	1114	1063	15.71
8	A'	931	889	121.18
9	A'	841	803	82.60
10	A'	569	543	12.35
11	A'	215	205	11.95
12	A"	3618	3452	6.75
13	A"	3136	2992	3.49
14	A"	1402	1338	0.03
15	A"	1207	1152	0.01
16	A"	906	864	0.12
17	A"	391	373	14.70
18	A"	272	259	50.40

Atom	x (Å)	y (Å)	z (Å)
N1	-1.453	0.722	0.000
C2	0.000	0.825	0.000
C3	0.722	-0.462	0.000
N4	1.251	-1.493	0.000
H5	-1.778	0.220	0.816
H6	-1.778	0.220	-0.816
H7	0.318	1.392	0.874
H8	0.318	1.392	-0.874

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4563	2.4765	3.4955	1.0120	1.0120	2.0850	2.0850
C2	1.4563		1.4756	2.6337	2.0476	2.0476	1.0894	1.0894
C3	2.4765	1.4756		1.1586	2.7169	2.7169	2.0891	2.0891
N4	3.4955	2.6337	1.1586		3.5742	3.5742	3.1553	3.1553
H5	1.0120	2.0476	2.7169	3.5742		1.6320	2.4019	2.9364
H6	1.0120	2.0476	2.7169	3.5742	1.6320		2.9364	2.4019
H7	2.0850	1.0894	2.0891	3.1553	2.4019	2.9364		1.7484
H8	2.0850	1.0894	2.0891	3.1553	2.9364	2.4019	1.7484

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.275	N1	C2	H7	109.129
N1	C2	H8	109.129	C2	N1	H5	110.820
C2	N1	H6	110.820	C2	C3	N4	177.863
C3	C2	H7	108.123	C3	C2	H8	108.123
H5	N1	H6	107.479	H7	C2	H8	106.727

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)