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	hartrees
Energy at 0K	-186.305900
Energy at 298.15K	-186.310832
HF Energy	-185.897209
Nuclear repulsion energy	102.113436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3455	3455	0.01
2	A'	3106	3106	9.16
3	A'	2396	2396	0.59
4	A'	1768	1768	20.48
5	A'	1562	1562	8.90
6	A'	1412	1412	0.59
7	A'	1105	1105	29.49
8	A'	896	896	70.38
9	A'	784	784	166.23
10	A'	598	598	16.03
11	A'	232	232	11.23
12	A"	3550	3550	0.36
13	A"	3144	3144	4.59
14	A"	1428	1428	0.36
15	A"	1262	1262	0.02
16	A"	916	916	0.08
17	A"	442	442	14.87
18	A"	306	306	63.33

Atom	x (Å)	y (Å)	z (Å)
N1	-1.482	0.699	0.000
C2	0.000	0.835	0.000
C3	0.743	-0.456	0.000
N4	1.278	-1.489	0.000
H5	-1.810	0.213	0.836
H6	-1.810	0.213	-0.836
H7	0.294	1.411	0.884
H8	0.294	1.411	-0.884

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4882	2.5072	3.5225	1.0213	1.0213	2.1073	2.1073
C2	1.4882		1.4899	2.6526	2.0886	2.0886	1.0950	1.0950
C3	2.5072	1.4899		1.1633	2.7686	2.7686	2.1143	2.1143
N4	3.5225	2.6526	1.1633		3.6241	3.6241	3.1879	3.1879
H5	1.0213	2.0886	2.7686	3.6241		1.6724	2.4214	2.9697
H6	1.0213	2.0886	2.7686	3.6241	1.6724		2.9697	2.4214
H7	2.1073	1.0950	2.1143	3.1879	2.4214	2.9697		1.7674
H8	2.1073	1.0950	2.1143	3.1879	2.9697	2.4214	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.673	N1	C2	H7	108.365
N1	C2	H8	108.365	C2	N1	H5	111.301
C2	N1	H6	111.301	C2	C3	N4	177.484
C3	C2	H7	108.802	C3	C2	H8	108.802
H5	N1	H6	109.917	H7	C2	H8	107.616

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: MP3=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)