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	hartrees
Energy at 0K	-94.515205
Energy at 298.15K	-94.518117
HF Energy	-94.515205
Nuclear repulsion energy	32.837570

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'	3579	3398	9.14	105.80	0.56	0.72
2	A'	3406	3234	21.62	291.15	0.28	0.44
3	A'	2928	2779	137.30	127.40	0.46	0.63
4	A'	1732	1644	8.16	28.47	0.43	0.60
5	A'	1468	1393	13.28	7.47	0.46	0.63
6	A'	1414	1342	20.31	6.55	0.66	0.80
7	A'	1083	1028	24.57	11.22	0.55	0.71
8	A"	1170	1111	10.09	1.23	0.75	0.86
9	A"	808	767	195.14	1.00	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.789
N2	0.062	-0.521
H3	-1.012	1.077
H4	-0.745	-1.147
H5	0.947	-1.016

	C1	N2	H3	H4	H5
C1		1.3108	1.1121	2.0985	2.0109
N2	1.3108		1.9257	1.0219	1.0138
H3	1.1121	1.9257		2.2403	2.8670
H4	2.0985	1.0219	2.2403		1.6975
H5	2.0109	1.0138	2.8670	1.6975

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.785		C1	N2	H5	119.227
N2	C1	H3	104.981		H4	N2	H5	112.988

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B1B95/6-31G*

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	-0.143
2	N	-0.645
3	H	0.098
4	H	0.329
5	H	0.360

	x	y	z	Total
	-1.161	-3.209	0.000	3.412
CHELPG
AIM
ESP

	x	y	z
x	2.727	-0.241	0.000
y	-0.241	3.669	0.000
z	0.000	0.000	1.411

<r²>	19.593
(<r²>)^1/2	4.426

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)