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	hartrees
Energy at 0K	-187.618620
Energy at 298.15K	-187.623441
HF Energy	-186.973839
Nuclear repulsion energy	102.541718

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3541	3541	3.68
2	A'	3113	3113	9.75
3	A'	2390	2390	0.45
4	A'	1676	1676	23.09
5	A'	1475	1475	4.85
6	A'	1368	1368	15.25
7	A'	1134	1134	12.07
8	A'	957	957	109.17
9	A'	854	854	56.53
10	A'	569	569	9.34
11	A'	215	215	13.66
12	A"	3626	3626	7.26
13	A"	3161	3161	3.10
14	A"	1396	1396	0.03
15	A"	1203	1203	0.02
16	A"	898	898	0.17
17	A"	386	386	7.57
18	A"	265	265	51.62

Atom	x (Å)	y (Å)	z (Å)
N1	-1.460	0.734	0.000
C2	0.000	0.834	0.000
C3	0.723	-0.471	0.000
N4	1.255	-1.507	0.000
H5	-1.775	0.213	0.815
H6	-1.775	0.213	-0.815
H7	0.323	1.401	0.885
H8	0.323	1.401	-0.885

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4637	2.4943	3.5206	1.0179	1.0179	2.0992	2.0992
C2	1.4637		1.4921	2.6559	2.0498	2.0498	1.0992	1.0992
C3	2.4943	1.4921		1.1642	2.7156	2.7156	2.1086	2.1086
N4	3.5206	2.6559	1.1642		3.5780	3.5780	3.1788	3.1788
H5	1.0179	2.0498	2.7156	3.5780		1.6309	2.4121	2.9502
H6	1.0179	2.0498	2.7156	3.5780	1.6309		2.9502	2.4121
H7	2.0992	1.0992	2.1086	3.1788	2.4121	2.9502		1.7693
H8	2.0992	1.0992	2.1086	3.1788	2.9502	2.4121	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.097	N1	C2	H7	109.165
N1	C2	H8	109.165	C2	N1	H5	110.085
C2	N1	H6	110.085	C2	C3	N4	178.165
C3	C2	H7	107.967	C3	C2	H8	107.967
H5	N1	H6	106.465	H7	C2	H8	107.194

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/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: MP3=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)