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	hartrees
Energy at 0K	-94.616994
Energy at 298.15K	-94.619906
HF Energy	-94.616994
Nuclear repulsion energy	32.930331

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'	3539	3424	20.56	92.41	0.67	0.80
2	A'	3380	3270	20.02	418.01	0.26	0.41
3	A'	2926	2831	95.31	175.84	0.52	0.68
4	A'	1686	1631	14.62	20.28	0.58	0.73
5	A'	1435	1388	15.81	11.16	0.16	0.28
6	A'	1383	1338	11.91	13.68	0.17	0.29
7	A'	1074	1039	24.48	13.93	0.26	0.42
8	A"	1153	1115	10.41	0.17	0.75	0.86
9	A"	801	775	144.96	0.43	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.523
H3	-0.996	1.101
H4	-0.759	-1.125
H5	0.942	-1.022

	C1	N2	H3	H4	H5
C1		1.3069	1.1046	2.0784	2.0087
N2	1.3069		1.9381	1.0189	1.0113
H3	1.1046	1.9381		2.2385	2.8742
H4	2.0784	1.0189	2.2385		1.7046
H5	2.0087	1.0113	2.8742	1.7046

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.230		C1	N2	H5	119.564
N2	C1	H3	106.675		H4	N2	H5	114.206

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	-0.516
2	N	-0.051
3	H	0.295
4	H	0.111
5	H	0.162

	x	y	z	Total
	-1.335	-3.201	0.000	3.468
CHELPG
AIM
ESP

	x	y	z
x	3.847	0.138	0.000
y	0.138	4.913	0.000
z	0.000	0.000	3.018

<r²>	20.056
(<r²>)^1/2	4.478

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)