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	hartrees
Energy at 0K	-94.537516
Energy at 298.15K	-94.540459
HF Energy	-94.537516
Nuclear repulsion energy	32.465427

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'	3568	3432	8.12	109.53	0.54	0.70
2	A'	3349	3222	44.43	377.57	0.30	0.46
3	A'	2845	2736	159.56	143.86	0.50	0.67
4	A'	1755	1688	7.21	38.51	0.40	0.58
5	A'	1442	1387	33.21	11.27	0.72	0.84
6	A'	1369	1317	14.01	1.58	0.31	0.47
7	A'	1088	1047	31.43	18.14	0.56	0.72
8	A"	1149	1105	13.21	1.14	0.75	0.86
9	A"	923	888	269.05	1.51	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.799
N2	0.062	-0.532
H3	-1.013	1.115
H4	-0.747	-1.162
H5	0.951	-1.022

	C1	N2	H3	H4	H5
C1		1.3311	1.1211	2.1209	2.0258
N2	1.3311		1.9672	1.0252	1.0142
H3	1.1211	1.9672		2.2920	2.9021
H4	2.1209	1.0252	2.2920		1.7033
H5	2.0258	1.0142	2.9021	1.7033

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.870		C1	N2	H5	118.862
N2	C1	H3	106.369		H4	N2	H5	113.268

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/6-31G

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	-0.033
2	N	-0.670
3	H	0.066
4	H	0.299
5	H	0.339

	x	y	z	Total
	-1.272	-3.185	0.000	3.430
CHELPG
AIM
ESP

	x	y	z
x	2.735	-0.221	0.000
y	-0.221	3.811	0.000
z	0.000	0.000	1.326

<r²>	20.033
(<r²>)^1/2	4.476

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)