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	hartrees
Energy at 0K	-94.532518
Energy at 298.15K	-94.535432
HF Energy	-94.412052
Nuclear repulsion energy	32.920519

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'	3584	3444	27.18	81.70	0.68	0.81
2	A'	3430	3297	6.74	333.07	0.22	0.36
3	A'	2960	2845	92.94	164.21	0.48	0.65
4	A'	1695	1628	17.24	15.02	0.62	0.76
5	A'	1436	1380	17.44	15.94	0.13	0.23
6	A'	1394	1340	11.51	6.80	0.18	0.30
7	A'	1077	1035	22.05	10.04	0.25	0.40
8	A"	1162	1117	10.34	0.15	0.75	0.86
9	A"	802	770	147.58	0.21	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.524
H3	-0.995	1.097
H4	-0.759	-1.122
H5	0.941	-1.020

	C1	N2	H3	H4	H5
C1		1.3097	1.1027	2.0768	2.0085
N2	1.3097		1.9353	1.0161	1.0093
H3	1.1027	1.9353		2.2306	2.8692
H4	2.0768	1.0161	2.2306		1.7037
H5	2.0085	1.0093	2.8692	1.7037

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.020		C1	N2	H5	119.453
N2	C1	H3	106.374		H4	N2	H5	114.527

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/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	-0.583
2	N	-0.090
3	H	0.332
4	H	0.145
5	H	0.196

	x	y	z	Total
	-1.352	-3.243	0.000	3.513
CHELPG
AIM
ESP

	x	y	z
x	3.773	0.094	0.002
y	0.094	4.798	0.001
z	0.002	0.001	3.006

<r²>	20.062
(<r²>)^1/2	4.479

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)