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	hartrees
Energy at 0K	-94.480209
Energy at 298.15K	-94.483136
HF Energy	-94.480209
Nuclear repulsion energy	32.280139

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'	3484	3484	4.57	119.61	0.51	0.68
2	A'	3201	3201	106.27	520.71	0.32	0.49
3	A'	2748	2748	186.43	156.73	0.57	0.72
4	A'	1724	1724	2.60	49.14	0.39	0.56
5	A'	1419	1419	32.36	10.92	0.72	0.84
6	A'	1319	1319	10.51	1.38	0.67	0.80
7	A'	1066	1066	37.54	27.49	0.52	0.68
8	A"	1131	1131	12.84	1.48	0.75	0.86
9	A"	900	900	255.21	1.92	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.805
N2	0.063	-0.534
H3	-1.026	1.109
H4	-0.745	-1.178
H5	0.956	-1.023

	C1	N2	H3	H4	H5
C1		1.3384	1.1305	2.1410	2.0343
N2	1.3384		1.9708	1.0332	1.0186
H3	1.1305	1.9708		2.3043	2.9111
H4	2.1410	1.0332	2.3043		1.7083
H5	2.0343	1.0186	2.9111	1.7083

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.581		C1	N2	H5	118.701
N2	C1	H3	105.617		H4	N2	H5	112.718

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/6-31G

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	-0.048
2	N	-0.657
3	H	0.072
4	H	0.293
5	H	0.340

	x	y	z	Total
	-1.177	-3.172	0.000	3.384
CHELPG
AIM
ESP

	x	y	z
x	2.863	-0.158	0.000
y	-0.158	4.038	0.000
z	0.000	0.000	1.336

<r²>	20.151
(<r²>)^1/2	4.489

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/6-31G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)