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	hartrees
Energy at 0K	-187.634707
Energy at 298.15K	-187.639524
HF Energy	-187.006382
Nuclear repulsion energy	103.014256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3550	3365	3.51
2	A'	3127	2964	9.83
3	A'	2201	2086	2.92
4	A'	1673	1586	26.87
5	A'	1491	1413	7.05
6	A'	1397	1324	13.52
7	A'	1134	1075	15.10
8	A'	958	908	133.21
9	A'	860	815	60.41
10	A'	564	535	12.15
11	A'	208	197	11.80
12	A"	3647	3457	7.84
13	A"	3180	3014	3.12
14	A"	1408	1335	0.09
15	A"	1206	1143	0.03
16	A"	911	864	0.46
17	A"	386	366	22.10
18	A"	271	256	44.16

Atom	x (Å)	y (Å)	z (Å)
N1	-1.453	0.721	0.000
C2	0.000	0.831	0.000
C3	0.723	-0.455	0.000
N4	1.248	-1.501	0.000
H5	-1.764	0.204	0.814
H6	-1.764	0.204	-0.814
H7	0.314	1.397	0.876
H8	0.314	1.397	-0.876

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4571	2.4731	3.4975	1.0130	1.0130	2.0846	2.0846
C2	1.4571		1.4746	2.6445	2.0413	2.0413	1.0894	1.0894
C3	2.4731	1.4746		1.1707	2.6983	2.6983	2.0889	2.0889
N4	3.4975	2.6445	1.1707		3.5557	3.5557	3.1683	3.1683
H5	1.0130	2.0413	2.6983	3.5557		1.6277	2.3967	2.9319
H6	1.0130	2.0413	2.6983	3.5557	1.6277		2.9319	2.3967
H7	2.0846	1.0894	2.0889	3.1683	2.3967	2.9319		1.7522
H8	2.0846	1.0894	2.0889	3.1683	2.9319	2.3967	1.7522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.035	N1	C2	H7	109.040
N1	C2	H8	109.040	C2	N1	H5	110.159
C2	N1	H6	110.159	C2	C3	N4	177.317
C3	C2	H7	108.184	C3	C2	H8	108.184
H5	N1	H6	106.905	H7	C2	H8	107.069

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)