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	hartrees
Energy at 0K	-93.992087
Energy at 298.15K	-93.995034
HF Energy	-93.992087
Nuclear repulsion energy	32.565788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3514	3362	11.08	103.60	0.53	0.70
2	A'	3319	3175	23.81	291.70	0.30	0.46
3	A'	2819	2697	145.26	122.95	0.47	0.64
4	A'	1756	1680	8.60	32.86	0.43	0.60
5	A'	1450	1387	33.10	11.69	0.73	0.85
6	A'	1361	1302	11.16	2.75	0.25	0.40
7	A'	1094	1046	28.29	13.36	0.61	0.76
8	A"	1167	1117	11.51	0.86	0.75	0.86
9	A"	923	883	252.81	1.53	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.796
N2	0.062	-0.528
H3	-1.017	1.099
H4	-0.749	-1.157
H5	0.954	-1.019

	C1	N2	H3	H4	H5
C1		1.3238	1.1211	2.1148	2.0213
N2	1.3238		1.9527	1.0267	1.0172
H3	1.1211	1.9527		2.2723	2.8927
H4	2.1148	1.0267	2.2723		1.7081
H5	2.0213	1.0172	2.8927	1.7081

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.791		C1	N2	H5	118.830
N2	C1	H3	105.709		H4	N2	H5	113.378

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/3-21G

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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Number	Element	Mulliken
1	C	-0.070
2	N	-0.714
3	H	0.132
4	H	0.308
5	H	0.344

	x	y	z	Total
	-1.293	-3.289	0.000	3.534
CHELPG
AIM
ESP

	x	y	z
x	2.512	-0.298	0.000
y	-0.298	3.412	0.000
z	0.000	0.000	1.183

<r²>	19.831
(<r²>)^1/2	4.453

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)