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	hartrees
Energy at 0K	-94.540629
Energy at 298.15K	-94.543530
HF Energy	-94.540629
Nuclear repulsion energy	32.730058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3539	3415	15.39
2	A'	3359	3242	23.36
3	A'	2907	2806	124.65
4	A'	1658	1600	7.83
5	A'	1453	1402	8.57
6	A'	1372	1324	15.92
7	A'	1057	1020	24.92
8	A"	1156	1115	11.68
9	A"	779	752	146.42

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.523
H3	-1.017	1.091
H4	-0.754	-1.145
H5	0.951	-1.023

	C1	N2	H3	H4	H5
C1		1.3120	1.1215	2.1002	2.0185
N2	1.3120		1.9416	1.0276	1.0195
H3	1.1215	1.9416		2.2514	2.8885
H4	2.1002	1.0276	2.2514		1.7100
H5	2.0185	1.0195	2.8885	1.7100

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.294		C1	N2	H5	119.409
N2	C1	H3	105.590		H4	N2	H5	113.297

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/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	-0.224
2	N	-0.038
3	H	0.034
4	H	0.097
5	H	0.131

	x	y	z	Total
	-1.226	-3.245	0.000	3.469
CHELPG
AIM
ESP

	x	y	z
x	2.872	-0.213	0.000
y	-0.213	3.817	0.000
z	0.000	0.000	1.606

<r²>	19.747
(<r²>)^1/2	4.444

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)