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	hartrees
Energy at 0K	-94.536100
Energy at 298.15K
HF Energy	-94.409542
Nuclear repulsion energy	32.958379

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'	3590	3430	22.33	83.77	0.64	0.78
2	A'	3436	3282	8.08	270.75	0.24	0.39
3	A'	2957	2826	105.75	155.67	0.46	0.63
4	A'	1698	1622	14.33	17.74	0.48	0.65
5	A'	1444	1380	14.36	10.48	0.31	0.47
6	A'	1402	1340	12.41	0.93	0.46	0.63
7	A'	1079	1031	22.75	7.56	0.43	0.61
8	A"	1172	1120	12.26	1.19	0.75	0.86
9	A"	807	771	151.16	0.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.785
N2	0.062	-0.523
H3	-0.996	1.092
H4	-0.757	-1.123
H5	0.941	-1.018

	C1	N2	H3	H4	H5
C1		1.3080	1.1017	2.0765	2.0057
N2	1.3080		1.9305	1.0154	1.0085
H3	1.1017	1.9305		2.2276	2.8640
H4	2.0765	1.0154	2.2276		1.7012
H5	2.0057	1.0085	2.8640	1.7012

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.222		C1	N2	H5	119.393
N2	C1	H3	106.159		H4	N2	H5	114.385

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

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	-0.305
2	N	-0.124
3	H	0.079
4	H	0.163
5	H	0.188

	x	y	z	Total
	-1.312	-3.244	0.000	3.499
CHELPG
AIM
ESP

	x	y	z
x	3.193	-0.107	0.000
y	-0.107	4.147	0.000
z	0.000	0.000	2.149

<r²>	19.822
(<r²>)^1/2	4.452

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)