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	hartrees
Energy at 0K	-94.571275
Energy at 298.15K	-94.574204
HF Energy	-94.571275
Nuclear repulsion energy	32.929599

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'	3554	3427	15.06	103.63	0.62	0.77
2	A'	3388	3267	20.16	366.97	0.29	0.45
3	A'	2928	2823	107.08	169.29	0.52	0.69
4	A'	1704	1643	11.49	26.57	0.47	0.64
5	A'	1454	1402	11.84	7.60	0.40	0.57
6	A'	1397	1347	21.69	3.54	0.73	0.84
7	A'	1083	1044	24.31	12.49	0.51	0.67
8	A"	1166	1125	10.54	2.06	0.75	0.86
9	A"	848	817	176.97	0.55	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.521
H3	-1.003	1.092
H4	-0.755	-1.133
H5	0.945	-1.019

	C1	N2	H3	H4	H5
C1		1.3054	1.1086	2.0840	2.0074
N2	1.3054		1.9327	1.0208	1.0129
H3	1.1086	1.9327		2.2382	2.8716
H4	2.0840	1.0208	2.2382		1.7031
H5	2.0074	1.0129	2.8716	1.7031

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.820		C1	N2	H5	119.441
N2	C1	H3	106.091		H4	N2	H5	113.739

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/TZVP

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	-0.201
2	N	-0.330
3	H	0.058
4	H	0.211
5	H	0.261

	x	y	z	Total
	-1.382	-3.288	0.000	3.567
CHELPG
AIM
ESP

	x	y	z
x	3.248	-0.065	0.000
y	-0.065	4.354	0.000
z	0.000	0.000	2.146

<r²>	19.875
(<r²>)^1/2	4.458

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/TZVP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)