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	hartrees
Energy at 0K	-188.044218
Energy at 298.15K	-188.049023
HF Energy	-187.781448
Nuclear repulsion energy	103.395782

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3530	3386	4.33
2	A'	3088	2962	8.99
3	A'	2281	2188	0.46
4	A'	1677	1609	23.51
5	A'	1489	1428	6.08
6	A'	1376	1320	10.48
7	A'	1110	1065	14.21
8	A'	931	894	92.47
9	A'	837	803	80.50
10	A'	570	547	9.19
11	A'	216	208	12.37
12	A"	3609	3462	10.70
13	A"	3124	2997	1.96
14	A"	1397	1341	0.01
15	A"	1206	1158	0.03
16	A"	900	863	0.01
17	A"	385	370	6.47
18	A"	259	249	50.64

Atom	x (Å)	y (Å)	z (Å)
N1	-1.451	0.717	0.000
C2	0.000	0.824	0.000
C3	0.722	-0.459	0.000
N4	1.250	-1.488	0.000
H5	-1.774	0.212	0.814
H6	-1.774	0.212	-0.814
H7	0.314	1.392	0.874
H8	0.314	1.392	-0.874

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4551	2.4703	3.4866	1.0107	1.0107	2.0819	2.0819
C2	1.4551		1.4719	2.6283	2.0453	2.0453	1.0880	1.0880
C3	2.4703	1.4719		1.1569	2.7088	2.7088	2.0864	2.0864
N4	3.4866	2.6283	1.1569		3.5626	3.5626	3.1514	3.1514
H5	1.0107	2.0453	2.7088	3.5626		1.6277	2.3988	2.9323
H6	1.0107	2.0453	2.7088	3.5626	1.6277		2.9323	2.3988
H7	2.0819	1.0880	2.0864	3.1514	2.3988	2.9323		1.7472
H8	2.0819	1.0880	2.0864	3.1514	2.9323	2.3988	1.7472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.122	N1	C2	H7	109.047
N1	C2	H8	109.047	C2	N1	H5	110.798
C2	N1	H6	110.798	C2	C3	N4	177.810
C3	C2	H7	108.246	C3	C2	H8	108.246
H5	N1	H6	107.269	H7	C2	H8	106.818

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

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

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-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)