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	hartrees
Energy at 0K	-94.468758
Energy at 298.15K	-94.471661
HF Energy	-94.468758
Nuclear repulsion energy	32.773974

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'	3563	3427	17.24	106.36	0.62	0.76
2	A'	3387	3258	19.70	322.29	0.27	0.43
3	A'	2922	2811	123.78	168.23	0.45	0.62
4	A'	1664	1601	9.12	23.48	0.48	0.65
5	A'	1464	1409	8.15	8.83	0.35	0.52
6	A'	1376	1324	16.50	4.40	0.68	0.81
7	A'	1060	1020	24.56	9.90	0.50	0.66
8	A"	1160	1116	11.58	1.12	0.75	0.86
9	A"	783	753	148.22	0.96	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.522
H3	-1.016	1.090
H4	-0.754	-1.142
H5	0.950	-1.022

	C1	N2	H3	H4	H5
C1		1.3101	1.1208	2.0962	2.0156
N2	1.3101		1.9398	1.0261	1.0183
H3	1.1208	1.9398		2.2472	2.8855
H4	2.0962	1.0261	2.2472		1.7089
H5	2.0156	1.0183	2.8855	1.7089

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.191		C1	N2	H5	119.388
N2	C1	H3	105.612		H4	N2	H5	113.421

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: HSEh1PBE/cc-pVDZ

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	-0.221
2	N	-0.038
3	H	0.033
4	H	0.096
5	H	0.130

	x	y	z	Total
	-1.232	-3.248	0.000	3.474
CHELPG
AIM
ESP

	x	y	z
x	2.868	-0.217	0.000
y	-0.217	3.797	0.000
z	0.000	0.000	1.605

<r²>	19.732
(<r²>)^1/2	4.442

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)