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	hartrees
Energy at 0K	-94.610877
Energy at 298.15K	-94.613802
HF Energy	-94.610877
Nuclear repulsion energy	32.816642

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'	3529	3401	13.04	104.42	0.61	0.76
2	A'	3351	3229	27.14	396.74	0.29	0.45
3	A'	2906	2800	119.73	173.29	0.54	0.70
4	A'	1708	1646	9.17	28.04	0.47	0.64
5	A'	1434	1382	20.02	10.24	0.47	0.64
6	A'	1396	1345	14.60	0.97	0.68	0.81
7	A'	1073	1034	24.25	13.89	0.49	0.66
8	A"	1168	1125	10.20	2.09	0.75	0.86
9	A"	837	807	175.20	0.63	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.523
H3	-1.005	1.091
H4	-0.755	-1.138
H5	0.947	-1.020

	C1	N2	H3	H4	H5
C1		1.3116	1.1098	2.0931	2.0134
N2	1.3116		1.9352	1.0231	1.0144
H3	1.1098	1.9352		2.2433	2.8753
H4	2.0931	1.0231	2.2433		1.7056
H5	2.0134	1.0144	2.8753	1.7056

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.969		C1	N2	H5	119.353
N2	C1	H3	105.809		H4	N2	H5	113.678

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.198
2	N	-0.314
3	H	0.050
4	H	0.206
5	H	0.256

	x	y	z	Total
	-1.350	-3.290	0.000	3.557
CHELPG
AIM
ESP

	x	y	z
x	3.297	-0.051	0.000
y	-0.051	4.422	0.000
z	0.000	0.000	2.135

<r²>	19.969
(<r²>)^1/2	4.469

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/TZVP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)