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	hartrees
Energy at 0K	-187.618848
Energy at 298.15K	-187.623637
HF Energy	-186.972153
Nuclear repulsion energy	102.158222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3502	3392	2.59
2	A'	3084	2987	11.10
3	A'	2292	2221	0.08
4	A'	1668	1616	21.33
5	A'	1470	1424	4.16
6	A'	1361	1318	15.80
7	A'	1125	1090	12.13
8	A'	947	917	116.44
9	A'	845	819	44.79
10	A'	558	541	9.23
11	A'	211	204	13.18
12	A"	3587	3475	5.25
13	A"	3132	3034	3.98
14	A"	1389	1345	0.04
15	A"	1196	1159	0.02
16	A"	893	865	0.24
17	A"	379	367	8.66
18	A"	262	254	49.20

Atom	x (Å)	y (Å)	z (Å)
N1	-1.463	0.740	0.000
C2	0.000	0.838	0.000
C3	0.724	-0.473	0.000
N4	1.258	-1.516	0.000
H5	-1.778	0.215	0.817
H6	-1.778	0.215	-0.817
H7	0.323	1.405	0.887
H8	0.323	1.405	-0.887

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4663	2.5002	3.5350	1.0208	1.0208	2.1026	2.1026
C2	1.4663		1.4971	2.6696	2.0537	2.0537	1.1017	1.1017
C3	2.5002	1.4971		1.1728	2.7204	2.7204	2.1152	2.1152
N4	3.5350	2.6696	1.1728		3.5900	3.5900	3.1934	3.1934
H5	1.0208	2.0537	2.7204	3.5900		1.6342	2.4161	2.9560
H6	1.0208	2.0537	2.7204	3.5900	1.6342		2.9560	2.4161
H7	2.1026	1.1017	2.1152	3.1934	2.4161	2.9560		1.7749
H8	2.1026	1.1017	2.1152	3.1934	2.9560	2.4161	1.7749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.063	N1	C2	H7	109.102
N1	C2	H8	109.102	C2	N1	H5	110.036
C2	N1	H6	110.036	C2	C3	N4	178.228
C3	C2	H7	107.992	C3	C2	H8	107.992
H5	N1	H6	106.337	H7	C2	H8	107.319

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD/aug-cc-pVDZ

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: QCISD/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)