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	hartrees
Energy at 0K	-94.611994
Energy at 298.15K	-94.614907
HF Energy	-94.611994
Nuclear repulsion energy	32.848780

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'	3527	3415	13.36	95.23	0.60	0.75
2	A'	3354	3247	26.68	347.64	0.27	0.43
3	A'	2897	2806	119.07	165.98	0.49	0.65
4	A'	1690	1636	9.76	24.07	0.46	0.63
5	A'	1430	1385	17.31	9.06	0.36	0.53
6	A'	1388	1344	10.04	0.54	0.53	0.69
7	A'	1063	1030	25.53	10.75	0.42	0.60
8	A"	1164	1127	11.83	1.29	0.75	0.86
9	A"	804	779	145.91	0.63	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.523
H3	-1.004	1.093
H4	-0.755	-1.135
H5	0.945	-1.021

	C1	N2	H3	H4	H5
C1		1.3104	1.1095	2.0889	2.0118
N2	1.3104		1.9360	1.0214	1.0130
H3	1.1095	1.9360		2.2412	2.8748
H4	2.0889	1.0214	2.2412		1.7041
H5	2.0118	1.0130	2.8748	1.7041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.794		C1	N2	H5	119.419
N2	C1	H3	105.971		H4	N2	H5	113.787

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.261
2	N	-0.104
3	H	0.045
4	H	0.143
5	H	0.177

	x	y	z	Total
	-1.265	-3.235	0.000	3.474
CHELPG
AIM
ESP

	x	y	z
x	3.308	-0.072	0.000
y	-0.072	4.287	0.000
z	0.000	0.000	2.166

<r²>	19.840
(<r²>)^1/2	4.454

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)