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	hartrees
Energy at 0K	-94.574980
Energy at 298.15K	-94.577913
HF Energy	-94.574980
Nuclear repulsion energy	32.953182

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'	3606	3444	19.62	90.54	0.65	0.79
2	A'	3462	3306	4.93	262.35	0.25	0.40
3	A'	2948	2816	106.99	163.38	0.50	0.66
4	A'	1716	1639	18.41	19.49	0.51	0.68
5	A'	1461	1396	15.67	8.44	0.32	0.48
6	A'	1415	1352	24.27	4.06	0.75	0.86
7	A'	1099	1049	20.56	7.25	0.56	0.72
8	A"	1168	1116	10.49	2.11	0.75	0.86
9	A"	845	807	183.79	0.29	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.522
H3	-1.002	1.088
H4	-0.756	-1.125
H5	0.943	-1.017

	C1	N2	H3	H4	H5
C1		1.3064	1.1071	2.0775	2.0053
N2	1.3064		1.9304	1.0168	1.0104
H3	1.1071	1.9304		2.2268	2.8666
H4	2.0775	1.0168	2.2268		1.7029
H5	2.0053	1.0104	2.8666	1.7029

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.365		C1	N2	H5	119.345
N2	C1	H3	105.929		H4	N2	H5	114.290

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/TZVP

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	-0.189
2	N	-0.345
3	H	0.050
4	H	0.220
5	H	0.264

	x	y	z	Total
	-1.429	-3.324	0.000	3.618
CHELPG
AIM
ESP

	x	y	z
x	3.205	-0.114	0.000
y	-0.114	4.219	0.000
z	0.000	0.000	2.174

<r²>	19.850
(<r²>)^1/2	4.455

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)