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	hartrees
Energy at 0K	-94.047401
Energy at 298.15K	-94.050335
HF Energy	-94.047401
Nuclear repulsion energy	32.331147

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'	3461	3353	8.33	105.05	0.51	0.68
2	A'	3239	3138	39.83	326.91	0.31	0.47
3	A'	2774	2688	163.30	130.32	0.49	0.66
4	A'	1745	1691	4.95	35.28	0.43	0.60
5	A'	1439	1394	35.79	12.41	0.75	0.85
6	A'	1321	1280	5.89	1.89	0.09	0.17
7	A'	1079	1045	29.92	14.98	0.59	0.74
8	A"	1161	1125	11.51	0.98	0.75	0.86
9	A"	892	864	244.67	1.64	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.803
N2	0.063	-0.532
H3	-1.023	1.101
H4	-0.751	-1.170
H5	0.959	-1.024

	C1	N2	H3	H4	H5
C1		1.3350	1.1257	2.1345	2.0350
N2	1.3350		1.9609	1.0341	1.0228
H3	1.1257	1.9609		2.2876	2.9059
H4	2.1345	1.0341	2.2876		1.7165
H5	2.0350	1.0228	2.9059	1.7165

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.123		C1	N2	H5	118.744
N2	C1	H3	105.346		H4	N2	H5	113.133

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.077
2	N	-0.691
3	H	0.130
4	H	0.300
5	H	0.338

	x	y	z	Total
	-1.251	-3.276	0.000	3.507
CHELPG
AIM
ESP

	x	y	z
x	2.582	-0.285	0.000
y	-0.285	3.526	0.000
z	0.000	0.000	1.187

<r²>	20.044
(<r²>)^1/2	4.477

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/3-21G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)