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	hartrees
Energy at 0K	-94.618404
Energy at 298.15K	-94.621316
HF Energy	-94.618404
Nuclear repulsion energy	32.938783

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'	3540	3540	16.26	99.03	0.62	0.76
2	A'	3379	3379	20.16	361.22	0.27	0.42
3	A'	2923	2923	100.74	163.18	0.49	0.66
4	A'	1689	1689	12.15	24.04	0.47	0.64
5	A'	1439	1439	13.39	8.45	0.34	0.51
6	A'	1389	1389	14.02	1.95	0.63	0.77
7	A'	1076	1076	24.61	11.56	0.44	0.61
8	A"	1158	1158	10.82	1.71	0.75	0.86
9	A"	807	807	151.42	0.45	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.522
H3	-0.997	1.099
H4	-0.758	-1.127
H5	0.942	-1.022

	C1	N2	H3	H4	H5
C1		1.3059	1.1055	2.0798	2.0087
N2	1.3059		1.9365	1.0193	1.0117
H3	1.1055	1.9365		2.2392	2.8738
H4	2.0798	1.0193	2.2392		1.7027
H5	2.0087	1.0117	2.8738	1.7027

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.434		C1	N2	H5	119.628
N2	C1	H3	106.559		H4	N2	H5	113.938

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/Def2TZVPP

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	-0.259
2	N	-0.164
3	H	0.071
4	H	0.150
5	H	0.201

	x	y	z	Total
	-1.330	-3.240	0.000	3.503
CHELPG
AIM
ESP

	x	y	z
x	3.412	-0.052	0.000
y	-0.052	4.431	0.000
z	0.000	0.000	2.390

<r²>	19.950
(<r²>)^1/2	4.467

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)