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	hartrees
Energy at 0K	-187.972504
Energy at 298.15K
HF Energy	-187.749079
Nuclear repulsion energy	103.093561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3537	3537	0.30
2	A'	3097	3097	13.08
3	A'	2279	2279	0.03
4	A'	1742	1742	33.16
5	A'	1502	1502	8.50
6	A'	1390	1390	9.55
7	A'	1129	1129	17.44
8	A'	952	952	171.08
9	A'	860	860	50.05
10	A'	573	573	10.66
11	A'	217	217	12.07
12	A"	3619	3619	2.00
13	A"	3138	3138	5.98
14	A"	1421	1421	0.07
15	A"	1225	1225	0.06
16	A"	909	909	0.02
17	A"	402	402	17.55
18	A"	279	279	52.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.723	0.000
C2	0.000	0.827	0.000
C3	0.725	-0.461	0.000
N4	1.249	-1.497	0.000
H5	-1.769	0.211	0.815
H6	-1.769	0.211	-0.815
H7	0.315	1.399	0.875
H8	0.315	1.399	-0.875

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4580	2.4799	3.4978	1.0125	1.0125	2.0859	2.0859
C2	1.4580		1.4784	2.6387	2.0429	2.0429	1.0911	1.0911
C3	2.4799	1.4784		1.1609	2.7081	2.7081	2.0959	2.0959
N4	3.4978	2.6387	1.1609		3.5620	3.5620	3.1660	3.1660
H5	1.0125	2.0429	2.7081	3.5620		1.6294	2.3994	2.9338
H6	1.0125	2.0429	2.7081	3.5620	1.6294		2.9338	2.3994
H7	2.0859	1.0911	2.0959	3.1660	2.3994	2.9338		1.7491
H8	2.0859	1.0911	2.0959	3.1660	2.9338	2.3994	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.244	N1	C2	H7	108.978
N1	C2	H8	108.978	C2	N1	H5	110.265
C2	N1	H6	110.265	C2	C3	N4	177.486
C3	C2	H7	108.369	C3	C2	H8	108.369
H5	N1	H6	107.152	H7	C2	H8	106.557

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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=FULLultrafine/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)