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	hartrees
Energy at 0K	-17.249377
Energy at 298.15K	-17.252326
HF Energy	-17.249377
Nuclear repulsion energy	19.068695

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'	3643	3643	14.71	86.21	0.69	0.82
2	A'	3461	3461	8.73	273.31	0.26	0.41
3	A'	2858	2858	160.56	176.84	0.50	0.66
4	A'	1749	1749	22.37	24.36	0.45	0.62
5	A'	1431	1431	41.74	11.78	0.68	0.81
6	A'	1371	1371	27.09	3.96	0.03	0.05
7	A'	1093	1093	23.43	9.77	0.60	0.75
8	A"	1145	1145	17.43	1.82	0.75	0.86
9	A"	927	927	271.57	0.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.805
N2	0.063	-0.539
H3	-1.017	1.115
H4	-0.755	-1.149
H5	0.954	-1.020

	C1	N2	H3	H4	H5
C1		1.3443	1.1231	2.1185	2.0311
N2	1.3443		1.9751	1.0202	1.0123
H3	1.1231	1.9751		2.2790	2.9052
H4	2.1185	1.0202	2.2790		1.7134
H5	2.0311	1.0123	2.9052	1.7134

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.719		C1	N2	H5	118.368
N2	C1	H3	106.000		H4	N2	H5	114.913

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/CEP-121G

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	-0.173
2	N	-0.513
3	H	0.057
4	H	0.292
5	H	0.337

	x	y	z	Total
	-1.520	-3.396	0.000	3.720
CHELPG
AIM
ESP

	x	y	z
x	3.053	-0.165	0.000
y	-0.165	4.021	0.000
z	0.000	0.000	1.871

<r²>	18.401
(<r²>)^1/2	4.290

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/CEP-121G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)