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	hartrees
Energy at 0K	-94.513866
Energy at 298.15K	-94.516755
HF Energy	-94.513866
Nuclear repulsion energy	32.573286

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'	3469	3469	3.60	120.17	0.52	0.68
2	A'	3235	3235	72.98	431.83	0.31	0.47
3	A'	2811	2811	156.03	139.51	0.51	0.68
4	A'	1669	1669	2.03	39.38	0.41	0.58
5	A'	1407	1407	17.07	9.98	0.65	0.79
6	A'	1355	1355	10.11	1.88	0.51	0.68
7	A'	1050	1050	30.46	19.42	0.50	0.66
8	A"	1140	1140	9.66	1.41	0.75	0.86
9	A"	775	775	170.69	1.58	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.797
N2	0.063	-0.525
H3	-1.022	1.083
H4	-0.745	-1.165
H5	0.954	-1.020

	C1	N2	H3	H4	H5
C1		1.3220	1.1222	2.1219	2.0233
N2	1.3220		1.9399	1.0307	1.0191
H3	1.1222	1.9399		2.2652	2.8855
H4	2.1219	1.0307	2.2652		1.7050
H5	2.0233	1.0191	2.8855	1.7050

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.395		C1	N2	H5	119.035
N2	C1	H3	104.771		H4	N2	H5	112.570

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	-0.116
2	N	-0.478
3	H	0.059
4	H	0.248
5	H	0.287

	x	y	z	Total
	-1.064	-3.138	0.000	3.314
CHELPG
AIM
ESP

	x	y	z
x	2.897	-0.190	0.000
y	-0.190	3.960	0.000
z	0.000	0.000	1.460

<r²>	19.804
(<r²>)^1/2	4.450

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)