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	hartrees
Energy at 0K	-184.840752
Energy at 298.15K	-184.845378
HF Energy	-184.562373
Nuclear repulsion energy	99.438713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3602	3202	9.51
2	A'	3400	3022	0.42
3	A'	2100	1867	46.62
4	A'	1906	1694	6.79
5	A'	1666	1481	1.72
6	A'	1484	1319	16.38
7	A'	1280	1138	24.41
8	A'	1060	942	46.51
9	A'	895	795	10.35
10	A'	560	498	6.85
11	A'	204	181	9.37
12	A"	3790	3369	7.75
13	A"	3510	3120	0.21
14	A"	1542	1371	1.27
15	A"	1316	1170	0.24
16	A"	958	851	0.43
17	A"	385	342	22.40
18	A"	273	243	41.89

Atom	x (Å)	y (Å)	z (Å)
N1	-1.513	0.760	0.000
C2	0.000	0.871	0.000
C3	0.740	-0.463	0.000
N4	1.288	-1.561	0.000
H5	-1.738	0.132	0.823
H6	-1.738	0.132	-0.823
H7	0.308	1.446	0.899
H8	0.308	1.446	-0.899

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.5174	2.5639	3.6378	1.0590	1.0590	2.1436	2.1436
C2	1.5174		1.5255	2.7516	2.0599	2.0599	1.1105	1.1105
C3	2.5639	1.5255		1.2267	2.6779	2.6779	2.1538	2.1538
N4	3.6378	2.7516	1.2267		3.5638	3.5638	3.2874	3.2874
H5	1.0590	2.0599	2.6779	3.5638		1.6454	2.4325	2.9790
H6	1.0590	2.0599	2.6779	3.5638	1.6454		2.9790	2.4325
H7	2.1436	1.1105	2.1538	3.2874	2.4325	2.9790		1.7974
H8	2.1436	1.1105	2.1538	3.2874	2.9790	2.4325	1.7974

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.826	N1	C2	H7	108.322
N1	C2	H8	108.322	C2	N1	H5	104.766
C2	N1	H6	104.766	C2	C3	N4	177.539
C3	C2	H7	108.563	C3	C2	H8	108.563
H5	N1	H6	101.950	H7	C2	H8	108.058

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)