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	hartrees
Energy at 0K	-94.472487
Energy at 298.15K	-94.475402
HF Energy	-94.472487
Nuclear repulsion energy	32.812535

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'	3587	3449	22.66	93.83	0.70	0.82
2	A'	3424	3293	12.63	359.91	0.24	0.38
3	A'	2951	2837	97.30	170.91	0.50	0.67
4	A'	1685	1621	18.31	16.81	0.62	0.77
5	A'	1458	1402	11.98	10.20	0.21	0.35
6	A'	1376	1323	15.97	9.43	0.13	0.23
7	A'	1068	1027	23.68	10.66	0.30	0.46
8	A"	1151	1106	11.76	0.41	0.75	0.86
9	A"	813	782	149.98	0.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.524
H3	-1.009	1.098
H4	-0.759	-1.129
H5	0.947	-1.021

	C1	N2	H3	H4	H5
C1		1.3108	1.1163	2.0854	2.0127
N2	1.3108		1.9439	1.0214	1.0144
H3	1.1163	1.9439		2.2409	2.8838
H4	2.0854	1.0214	2.2409		1.7102
H5	2.0127	1.0144	2.8838	1.7102

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.354		C1	N2	H5	119.354
N2	C1	H3	106.159		H4	N2	H5	114.291

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/aug-cc-pVDZ

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	-0.012
2	N	0.158
3	H	-0.137
4	H	-0.045
5	H	0.036

	x	y	z	Total
	-1.333	-3.241	0.000	3.505
CHELPG
AIM
ESP

	x	y	z
x	3.769	0.091	0.000
y	0.091	4.791	0.000
z	0.000	0.000	2.892

<r²>	20.077
(<r²>)^1/2	4.481

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)