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	hartrees
Energy at 0K	-187.103247
Energy at 298.15K	-187.108041
HF Energy	-187.103247
Nuclear repulsion energy	103.777969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3434	3378	1.98
2	A'	2978	2930	8.67
3	A'	2305	2267	6.10
4	A'	1654	1627	39.43
5	A'	1400	1377	16.29
6	A'	1315	1294	2.96
7	A'	1129	1111	11.71
8	A'	928	913	67.91
9	A'	827	813	170.57
10	A'	571	561	13.05
11	A'	210	207	10.36
12	A"	3518	3461	6.32
13	A"	3016	2967	1.33
14	A"	1348	1326	0.07
15	A"	1164	1145	0.21
16	A"	866	852	0.27
17	A"	406	400	20.46
18	A"	273	269	52.72

Atom	x (Å)	y (Å)	z (Å)
N1	-1.436	0.701	0.000
C2	0.000	0.821	0.000
C3	0.722	-0.442	0.000
N4	1.228	-1.484	0.000
H5	-1.758	0.189	0.824
H6	-1.758	0.189	-0.824
H7	0.319	1.412	0.877
H8	0.319	1.412	-0.877

	N1	C2	C3	N4	H5	H6	H7	H8
N1		1.4406	2.4417	3.4452	1.0225	1.0225	2.0860	2.0860
C2	1.4406		1.4550	2.6117	2.0422	2.0422	1.1041	1.1041
C3	2.4417	1.4550		1.1582	2.6888	2.6888	2.0900	2.0900
N4	3.4452	2.6117	1.1582		3.5209	3.5209	3.1591	3.1591
H5	1.0225	2.0422	2.6888	3.5209		1.6480	2.4109	2.9499
H6	1.0225	2.0422	2.6888	3.5209	1.6480		2.9499	2.4109
H7	2.0860	1.1041	2.0900	3.1591	2.4109	2.9499		1.7535
H8	2.0860	1.1041	2.0900	3.1591	2.9499	2.4109	1.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.969	N1	C2	H7	109.407
N1	C2	H8	109.407	C2	N1	H5	110.878
C2	N1	H6	110.878	C2	C3	N4	176.165
C3	C2	H7	108.732	C3	C2	H8	108.732
H5	N1	H6	107.392	H7	C2	H8	105.134

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)

using model chemistry: LSDA/6-311G*

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	-0.712
2	C	-0.443
3	C	0.091
4	N	-0.221
5	H	0.347
6	H	0.347
7	H	0.296
8	H	0.296

	x	y	z	Total
	-1.665	1.978	0.000	2.585
CHELPG
AIM
ESP

	x	y	z
x	5.158	-1.056	0.000
y	-1.056	5.596	0.000
z	0.000	0.000	3.827

<r²>	81.671
(<r²>)^1/2	9.037

All results from a given calculation for NH2CH2CN (Aminoacetonitrile)

using model chemistry: LSDA/6-311G*

States and conformations

All results from a given calculation for NH₂CH₂CN (Aminoacetonitrile)