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	hartrees
Energy at 0K	-187.750205
Energy at 298.15K	-187.755061
HF Energy	-187.015274
Nuclear repulsion energy	103.362052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3553	3318	3.61
2	A'	3106	2900	9.52
3	A'	2367	2210	0.05
4	A'	1694	1582	22.77
5	A'	1501	1401	5.18
6	A'	1394	1302	12.36
7	A'	1142	1066	12.76
8	A'	964	900	128.12
9	A'	860	803	53.74
10	A'	577	538	8.33
11	A'	220	205	13.05
12	A"	3636	3395	7.19
13	A"	3149	2940	2.97
14	A"	1414	1320	0.02
15	A"	1220	1139	0.02
16	A"	908	848	0.10
17	A"	391	365	8.09
18	A"	271	253	50.88

Atom	x (Å)	y (Å)	z (Å)
N1	-1.451	0.727	0.000
C2	0.000	0.828	0.000
C3	0.718	-0.467	0.000
N4	1.247	-1.492	0.000
H5	-1.762	0.208	0.810
H6	-1.762	0.208	-0.810
H7	0.322	1.390	0.874
H8	0.322	1.390	-0.874

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4545	2.4759	3.4930	1.0105	1.0105	2.0852	2.0852
C2	1.4545		1.4806	2.6335	2.0355	2.0355	1.0885	1.0885
C3	2.4759	1.4806		1.1532	2.6946	2.6946	2.0909	2.0909
N4	3.4930	2.6335	1.1532		3.5492	3.5492	3.1509	3.1509
H5	1.0105	2.0355	2.6946	3.5492		1.6191	2.3966	2.9284
H6	1.0105	2.0355	2.6946	3.5492	1.6191		2.9284	2.3966
H7	2.0852	1.0885	2.0909	3.1509	2.3966	2.9284		1.7489
H8	2.0852	1.0885	2.0909	3.1509	2.9284	2.3966	1.7489

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.033	N1	C2	H7	109.318
N1	C2	H8	109.318	C2	N1	H5	110.027
C2	N1	H6	110.027	C2	C3	N4	178.273
C3	C2	H7	107.978	C3	C2	H8	107.978
H5	N1	H6	106.484	H7	C2	H8	106.904

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)