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	hartrees
Energy at 0K	-93.986399
Energy at 298.15K	-93.989318
HF Energy	-93.986399
Nuclear repulsion energy	32.247938

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'	3388	3388	4.40	113.89	0.48	0.65
2	A'	3110	3110	88.62	426.84	0.33	0.49
3	A'	2703	2703	169.15	133.00	0.55	0.71
4	A'	1717	1717	1.91	43.75	0.41	0.59
5	A'	1418	1418	31.91	11.25	0.73	0.85
6	A'	1283	1283	5.57	1.16	0.47	0.64
7	A'	1066	1066	35.16	21.78	0.54	0.70
8	A"	1139	1139	11.25	1.13	0.75	0.86
9	A"	871	871	228.67	2.08	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.805
N2	0.063	-0.532
H3	-1.031	1.099
H4	-0.750	-1.180
H5	0.962	-1.025

	C1	N2	H3	H4	H5
C1		1.3367	1.1329	2.1453	2.0385
N2	1.3367		1.9640	1.0400	1.0254
H3	1.1329	1.9640		2.2969	2.9127
H4	2.1453	1.0400	2.2969		1.7194
H5	2.0385	1.0254	2.9127	1.7194

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.579		C1	N2	H5	118.721
N2	C1	H3	105.064		H4	N2	H5	112.700

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B97D3/3-21G*

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	-0.077
2	N	-0.669
3	H	0.127
4	H	0.288
5	H	0.330

	x	y	z	Total
	-1.181	-3.241	0.000	3.449
CHELPG
AIM
ESP

	x	y	z
x	2.641	-0.232	0.000
y	-0.232	3.659	0.000
z	0.000	0.000	1.192

<r²>	20.085
(<r²>)^1/2	4.482

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B97D3/3-21G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)