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	hartrees
Energy at 0K	-94.584568
Energy at 298.15K	-94.587487
HF Energy	-94.584568
Nuclear repulsion energy	33.007407

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'	3603	3603	22.98	81.01	0.66	0.80
2	A'	3467	3467	4.32	247.34	0.22	0.36
3	A'	2946	2946	99.53	153.98	0.44	0.61
4	A'	1699	1699	21.53	14.06	0.55	0.71
5	A'	1458	1458	14.99	9.82	0.21	0.34
6	A'	1400	1400	16.93	1.38	0.45	0.62
7	A'	1088	1088	21.63	5.63	0.37	0.54
8	A"	1161	1161	12.00	1.20	0.75	0.86
9	A"	811	811	150.27	0.25	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.522
H3	-0.998	1.093
H4	-0.758	-1.118
H5	0.941	-1.018

	C1	N2	H3	H4	H5
C1		1.3044	1.1051	2.0703	2.0030
N2	1.3044		1.9322	1.0142	1.0084
H3	1.1051	1.9322		2.2246	2.8661
H4	2.0703	1.0142	2.2246		1.7012
H5	2.0030	1.0084	2.8661	1.7012

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.026		C1	N2	H5	119.458
N2	C1	H3	106.330		H4	N2	H5	114.516

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: wB97X-D/cc-pVQZ

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	-0.104
2	N	-0.251
3	H	-0.022
4	H	0.170
5	H	0.208

	x	y	z	Total
	-1.363	-3.269	0.000	3.542
CHELPG
AIM
ESP

	x	y	z
x	3.431	-0.047	0.000
y	-0.047	4.330	0.000
z	0.000	0.000	2.497

<r²>	19.770
(<r²>)^1/2	4.446

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: wB97X-D/cc-pVQZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)