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	hartrees
Energy at 0K	-187.988728
Energy at 298.15K	-187.993581
HF Energy	-187.757825
Nuclear repulsion energy	103.115176

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3529	3529	1.50
2	A'	3088	3088	11.80
3	A'	2280	2280	0.03
4	A'	1683	1683	25.05
5	A'	1487	1487	7.13
6	A'	1380	1380	10.17
7	A'	1123	1123	14.88
8	A'	944	944	139.14
9	A'	854	854	58.39
10	A'	572	572	10.00
11	A'	216	216	11.55
12	A"	3610	3610	4.05
13	A"	3130	3130	4.76
14	A"	1404	1404	0.09
15	A"	1209	1209	0.05
16	A"	904	904	0.05
17	A"	401	401	15.27
18	A"	279	279	48.29

Atom	x (Å)	y (Å)	z (Å)
N1	-1.455	0.721	0.000
C2	0.000	0.829	0.000
C3	0.724	-0.459	0.000
N4	1.248	-1.495	0.000
H5	-1.764	0.201	0.813
H6	-1.764	0.201	-0.813
H7	0.316	1.398	0.876
H8	0.316	1.398	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4588	2.4778	3.4949	1.0137	1.0137	2.0888	2.0888
C2	1.4588		1.4776	2.6378	2.0415	2.0415	1.0915	1.0915
C3	2.4778	1.4776		1.1609	2.6996	2.6996	2.0935	2.0935
N4	3.4949	2.6378	1.1609		3.5510	3.5510	3.1631	3.1631
H5	1.0137	2.0415	2.6996	3.5510		1.6269	2.4011	2.9352
H6	1.0137	2.0415	2.6996	3.5510	1.6269		2.9352	2.4011
H7	2.0888	1.0915	2.0935	3.1631	2.4011	2.9352		1.7521
H8	2.0888	1.0915	2.0935	3.1631	2.9352	2.4011	1.7521

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.090	N1	C2	H7	109.131
N1	C2	H8	109.131	C2	N1	H5	110.017
C2	N1	H6	110.017	C2	C3	N4	177.479
C3	C2	H7	108.208	C3	C2	H8	108.208
H5	N1	H6	106.734	H7	C2	H8	106.754

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

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

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)