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	hartrees
Energy at 0K	-94.044043
Energy at 298.15K	-94.046981
HF Energy	-94.044043
Nuclear repulsion energy	32.457548

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'	3460	3338	7.03	106.39	0.50	0.67
2	A'	3245	3132	41.90	323.61	0.31	0.47
3	A'	2800	2702	146.81	124.58	0.49	0.66
4	A'	1749	1687	5.41	35.88	0.43	0.60
5	A'	1443	1392	32.40	11.71	0.74	0.85
6	A'	1340	1293	6.87	1.64	0.23	0.37
7	A'	1090	1051	30.00	15.62	0.59	0.74
8	A"	1160	1119	10.97	0.89	0.75	0.86
9	A"	897	866	237.28	1.79	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.798
N2	0.063	-0.530
H3	-1.017	1.106
H4	-0.752	-1.163
H5	0.956	-1.024

	C1	N2	H3	H4	H5
C1		1.3278	1.1225	2.1240	2.0290
N2	1.3278		1.9597	1.0320	1.0209
H3	1.1225	1.9597		2.2847	2.9029
H4	2.1240	1.0320	2.2847		1.7136
H5	2.0290	1.0209	2.9029	1.7136

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.890		C1	N2	H5	118.931
N2	C1	H3	105.910		H4	N2	H5	113.179

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/3-21G

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	-0.063
2	N	-0.675
3	H	0.120
4	H	0.290
5	H	0.328

	x	y	z	Total
	-1.262	-3.248	0.000	3.485
CHELPG
AIM
ESP

	x	y	z
x	2.538	-0.279	0.000
y	-0.279	3.488	0.000
z	0.000	0.000	1.183

<r²>	19.944
(<r²>)^1/2	4.466

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/3-21G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)