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	hartrees
Energy at 0K	-17.270873
Energy at 298.15K	-17.273762
HF Energy	-17.270873
Nuclear repulsion energy	19.115435

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'	3641	3641	18.29	77.20	0.67	0.80
2	A'	3488	3488	3.06	231.23	0.22	0.36
3	A'	2967	2967	147.36	125.37	0.48	0.65
4	A'	1702	1702	21.11	19.13	0.37	0.54
5	A'	1423	1423	25.59	10.40	0.51	0.67
6	A'	1400	1400	32.72	7.87	0.58	0.73
7	A'	1056	1056	25.68	10.75	0.69	0.82
8	A"	1147	1147	16.35	0.23	0.75	0.86
9	A"	771	771	218.49	0.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.802
N2	0.063	-0.533
H3	-1.018	1.091
H4	-0.755	-1.152
H5	0.958	-1.020

	C1	N2	H3	H4	H5
C1		1.3354	1.1190	2.1188	2.0305
N2	1.3354		1.9509	1.0257	1.0192
H3	1.1190	1.9509		2.2587	2.8919
H4	2.1188	1.0257	2.2587		1.7181
H5	2.0305	1.0192	2.8919	1.7181

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.140		C1	N2	H5	118.547
N2	C1	H3	104.942		H4	N2	H5	114.313

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/CEP-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	-0.433
2	N	-0.326
3	H	0.112
4	H	0.308
5	H	0.338

	x	y	z	Total
	-1.485	-3.370	0.000	3.683
CHELPG
AIM
ESP

	x	y	z
x	2.665	-0.140	0.000
y	-0.140	3.875	0.000
z	0.000	0.000	1.827

<r²>	18.132
(<r²>)^1/2	4.258

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/CEP-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)