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	hartrees
Energy at 0K	-187.970953
Energy at 298.15K	-187.965390
HF Energy	-188.092924
Nuclear repulsion energy	102.896037

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3482	3344	0.54
2	A'	3072	2950	12.03
3	A'	2355	2262	2.14
4	A'	1707	1640	24.24
5	A'	1494	1435	6.31
6	A'	1381	1327	10.96
7	A'	1118	1073	17.11
8	A'	937	900	152.93
9	A'	855	821	58.79
10	A'	571	549	9.76
11	A'	215	206	12.11
12	A"	3567	3426	1.94
13	A"	3112	2989	5.59
14	A"	1403	1347	0.04
15	A"	1210	1162	0.07
16	A"	904	868	0.00
17	A"	405	389	15.55
18	A"	278	267	54.86

Atom	x (Å)	y (Å)	z (Å)
N1	-1.457	0.722	0.000
C2	0.000	0.831	0.000
C3	0.730	-0.459	0.000
N4	1.247	-1.499	0.000
H5	-1.767	0.197	0.816
H6	-1.767	0.197	-0.816
H7	0.314	1.406	0.878
H8	0.314	1.406	-0.878

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4613	2.4852	3.4989	1.0183	1.0183	2.0916	2.0916
C2	1.4613		1.4816	2.6421	2.0471	2.0471	1.0957	1.0957
C3	2.4852	1.4816		1.1614	2.7077	2.7077	2.1025	2.1025
N4	3.4989	2.6421	1.1614		3.5536	3.5536	3.1745	3.1745
H5	1.0183	2.0471	2.7077	3.5536		1.6319	2.4071	2.9430
H6	1.0183	2.0471	2.7077	3.5536	1.6319		2.9430	2.4071
H7	2.0916	1.0957	2.1025	3.1745	2.4071	2.9430		1.7567
H8	2.0916	1.0957	2.1025	3.1745	2.9430	2.4071	1.7567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	115.492	N1	C2	H7	109.239
N1	C2	H8	109.239	C2	N1	H5	110.983
C2	N1	H6	110.983	C2	C3	N4	176.362
C3	C2	H7	107.892	C3	C2	H8	107.892
H5	N1	H6	107.519	H7	C2	H8	106.733

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: G3B3

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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Number	Element	Mulliken
1	N	-0.687
2	C	-0.221
3	C	0.331
4	N	-0.462
5	H	0.317
6	H	0.317
7	H	0.203
8	H	0.203

	x	y	z	Total
	-1.547	1.870	0.000	2.427
CHELPG
AIM
ESP

<r²>	83.051
(<r²>)^1/2	9.113

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: G3B3

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)