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	hartrees
Energy at 0K	-187.674317
Energy at 298.15K	-187.679185
HF Energy	-186.965532
Nuclear repulsion energy	103.115511

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3560	3366	3.00
2	A'	3121	2951	8.41
3	A'	2358	2229	0.08
4	A'	1704	1611	23.90
5	A'	1507	1425	5.13
6	A'	1394	1318	12.08
7	A'	1148	1085	12.80
8	A'	969	917	144.58
9	A'	866	818	42.14
10	A'	576	545	6.98
11	A'	221	209	13.77
12	A"	3644	3445	6.77
13	A"	3168	2995	2.65
14	A"	1418	1340	0.02
15	A"	1218	1151	0.03
16	A"	910	860	0.01
17	A"	401	379	7.98
18	A"	278	263	53.89

Atom	x (Å)	y (Å)	z (Å)
N1	-1.454	0.728	0.000
C2	0.000	0.831	0.000
C3	0.718	-0.466	0.000
N4	1.249	-1.496	0.000
H5	-1.758	0.200	0.810
H6	-1.758	0.200	-0.810
H7	0.321	1.396	0.877
H8	0.321	1.396	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4574	2.4783	3.4997	1.0136	1.0136	2.0895	2.0895
C2	1.4574		1.4824	2.6410	2.0357	2.0357	1.0919	1.0919
C3	2.4783	1.4824		1.1589	2.6888	2.6888	2.0963	2.0963
N4	3.4997	2.6410	1.1589		3.5454	3.5454	3.1618	3.1618
H5	1.0136	2.0357	2.6888	3.5454		1.6203	2.3993	2.9325
H6	1.0136	2.0357	2.6888	3.5454	1.6203		2.9325	2.3993
H7	2.0895	1.0919	2.0963	3.1618	2.3993	2.9325		1.7547
H8	2.0895	1.0919	2.0963	3.1618	2.9325	2.3993	1.7547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.917	N1	C2	H7	109.259
N1	C2	H8	109.259	C2	N1	H5	109.636
C2	N1	H6	109.636	C2	C3	N4	178.240
C3	C2	H7	108.085	C3	C2	H8	108.085
H5	N1	H6	106.118	H7	C2	H8	106.937

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)