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	hartrees
Energy at 0K	-187.920935
Energy at 298.15K	-187.925783
HF Energy	-187.719293
Nuclear repulsion energy	102.718154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3499	3354	0.95
2	A'	3090	2962	12.27
3	A'	2279	2184	0.03
4	A'	1670	1600	17.89
5	A'	1461	1401	5.84
6	A'	1364	1307	13.51
7	A'	1133	1086	12.89
8	A'	958	918	134.76
9	A'	864	828	38.29
10	A'	568	544	9.05
11	A'	211	203	10.18
12	A"	3580	3431	3.38
13	A"	3139	3008	4.58
14	A"	1396	1338	0.18
15	A"	1199	1150	0.06
16	A"	899	862	0.02
17	A"	403	386	17.30
18	A"	281	269	41.28

Atom	x (Å)	y (Å)	z (Å)
N1	-1.455	0.729	0.000
C2	0.000	0.836	0.000
C3	0.725	-0.458	0.000
N4	1.242	-1.508	0.000
H5	-1.751	0.185	0.812
H6	-1.751	0.185	-0.812
H7	0.323	1.408	0.882
H8	0.323	1.408	-0.882

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4591	2.4819	3.5040	1.0213	1.0213	2.0977	2.0977
C2	1.4591		1.4826	2.6520	2.0371	2.0371	1.1002	1.1002
C3	2.4819	1.4826		1.1703	2.6837	2.6837	2.1031	2.1031
N4	3.5040	2.6520	1.1703		3.5333	3.5333	3.1823	3.1823
H5	1.0213	2.0371	2.6837	3.5333		1.6238	2.4089	2.9441
H6	1.0213	2.0371	2.6837	3.5333	1.6238		2.9441	2.4089
H7	2.0977	1.1002	2.1031	3.1823	2.4089	2.9441		1.7643
H8	2.0977	1.1002	2.1031	3.1823	2.9441	2.4089	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.063	N1	C2	H7	109.296
N1	C2	H8	109.296	C2	N1	H5	109.154
C2	N1	H6	109.154	C2	C3	N4	176.998
C3	C2	H7	108.120	C3	C2	H8	108.120
H5	N1	H6	105.314	H7	C2	H8	106.610

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)