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	hartrees
Energy at 0K	-94.544401
Energy at 298.15K	-94.547304
HF Energy	-94.544401
Nuclear repulsion energy	32.740652

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'	3591	3421	20.37	95.56	0.65	0.79
2	A'	3438	3275	5.74	237.48	0.24	0.39
3	A'	2921	2783	123.94	162.45	0.43	0.60
4	A'	1672	1593	14.36	17.17	0.52	0.68
5	A'	1458	1389	11.68	10.05	0.32	0.48
6	A'	1388	1323	17.40	5.42	0.62	0.77
7	A'	1072	1021	20.95	6.33	0.54	0.70
8	A"	1157	1102	11.75	1.04	0.75	0.86
9	A"	777	740	153.05	0.69	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.790
N2	0.063	-0.524
H3	-1.016	1.089
H4	-0.756	-1.138
H5	0.950	-1.023

	C1	N2	H3	H4	H5
C1		1.3134	1.1202	2.0944	2.0182
N2	1.3134		1.9403	1.0240	1.0178
H3	1.1202	1.9403		2.2414	2.8855
H4	2.0944	1.0240	2.2414		1.7101
H5	2.0182	1.0178	2.8855	1.7101

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.845		C1	N2	H5	119.389
N2	C1	H3	105.471		H4	N2	H5	113.766

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.216
2	N	-0.052
3	H	0.028
4	H	0.105
5	H	0.134

	x	y	z	Total
	-1.268	-3.258	0.000	3.496
CHELPG
AIM
ESP

	x	y	z
x	2.816	-0.257	0.000
y	-0.257	3.695	0.000
z	0.000	0.000	1.610

<r²>	19.729
(<r²>)^1/2	4.442

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)