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	hartrees
Energy at 0K	-94.489947
Energy at 298.15K	-94.492839
HF Energy	-94.489947
Nuclear repulsion energy	32.727234

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'	3430	3430	13.52	105.79	0.66	0.79
2	A'	3230	3230	66.35	676.66	0.30	0.46
3	A'	2842	2842	99.19	202.72	0.59	0.74
4	A'	1631	1631	6.62	32.04	0.56	0.72
5	A'	1412	1412	7.70	10.05	0.22	0.37
6	A'	1333	1333	13.55	33.86	0.16	0.27
7	A'	1037	1037	30.26	27.67	0.25	0.40
8	A"	1129	1129	10.26	0.17	0.75	0.86
9	A"	795	795	131.52	1.08	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.523
H3	-1.008	1.101
H4	-0.760	-1.144
H5	0.952	-1.025

	C1	N2	H3	H4	H5
C1		1.3116	1.1159	2.1002	2.0192
N2	1.3116		1.9457	1.0309	1.0205
H3	1.1159	1.9457		2.2585	2.8914
H4	2.1002	1.0309	2.2585		1.7162
H5	2.0192	1.0205	2.8914	1.7162

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.010		C1	N2	H5	119.428
N2	C1	H3	106.270		H4	N2	H5	113.563

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBE/daug-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	-0.879
2	N	-0.320
3	H	0.486
4	H	0.208
5	H	0.504

	x	y	z	Total
	-1.267	-3.234	0.000	3.474
CHELPG
AIM
ESP

	x	y	z
x	4.141	0.258	0.000
y	0.258	5.369	0.000
z	0.000	0.000	3.167

<r²>	20.239
(<r²>)^1/2	4.499

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBE/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)