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	hartrees
Energy at 0K	-187.604546
Energy at 298.15K	-187.609363
HF Energy	-186.958164
Nuclear repulsion energy	102.096459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3475	3312
2	A'	3080	2936
3	A'	2259	2153
4	A'	1666	1587
5	A'	1465	1396
6	A'	1361	1297
7	A'	1139	1085
8	A'	975	930
9	A'	860	820
10	A'	553	527
11	A'	204	194
12	A"	3559	3392
13	A"	3133	2986
14	A"	1397	1332
15	A"	1195	1139
16	A"	893	851
17	A"	395	376
18	A"	279	265

Atom	x (Å)	y (Å)	z (Å)
N1	-1.463	0.739	0.000
C2	0.000	0.845	0.000
C3	0.726	-0.463	0.000
N4	1.246	-1.521	0.000
H5	-1.743	0.177	0.812
H6	-1.743	0.177	-0.812
H7	0.325	1.416	0.888
H8	0.325	1.416	-0.888

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4670	2.4975	3.5279	1.0262	1.0262	2.1084	2.1084
C2	1.4670		1.4967	2.6745	2.0356	2.0356	1.1050	1.1050
C3	2.4975	1.4967		1.1786	2.6769	2.6769	2.1176	2.1176
N4	3.5279	2.6745	1.1786		3.5323	3.5323	3.2043	3.2043
H5	1.0262	2.0356	2.6769	3.5323		1.6239	2.4120	2.9501
H6	1.0262	2.0356	2.6769	3.5323	1.6239		2.9501	2.4120
H7	2.1084	1.1050	2.1176	3.2043	2.4120	2.9501		1.7768
H8	2.1084	1.1050	2.1176	3.2043	2.9501	2.4120	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.853	N1	C2	H7	109.315
N1	C2	H8	109.315	C2	N1	H5	108.167
C2	N1	H6	108.167	C2	C3	N4	177.154
C3	C2	H7	108.020	C3	C2	H8	108.020
H5	N1	H6	104.593	H7	C2	H8	107.030

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: QCISD(T)/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(T)/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)