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	hartrees
Energy at 0K	-94.602847
Energy at 298.15K	-94.605761
HF Energy	-94.602847
Nuclear repulsion energy	32.824988

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'	3539	3422	13.22	94.93	0.61	0.76
2	A'	3362	3250	25.66	335.74	0.29	0.46
3	A'	2895	2799	124.36	168.95	0.49	0.66
4	A'	1696	1640	10.54	24.64	0.43	0.60
5	A'	1437	1389	15.18	7.89	0.49	0.65
6	A'	1392	1346	13.40	2.12	0.49	0.66
7	A'	1077	1041	26.25	11.28	0.51	0.67
8	A"	1163	1124	12.40	1.02	0.75	0.86
9	A"	807	781	168.33	0.98	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.788
N2	0.063	-0.523
H3	-1.005	1.092
H4	-0.756	-1.137
H5	0.946	-1.021

	C1	N2	H3	H4	H5
C1		1.3112	1.1102	2.0913	2.0134
N2	1.3112		1.9363	1.0226	1.0138
H3	1.1102	1.9363		2.2426	2.8762
H4	2.0913	1.0226	2.2426		1.7050
H5	2.0134	1.0138	2.8762	1.7050

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.856		C1	N2	H5	119.438
N2	C1	H3	105.900		H4	N2	H5	113.706

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYP/6-311G**

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	-0.174
2	N	-0.323
3	H	0.067
4	H	0.198
5	H	0.232

	x	y	z	Total
	-1.269	-3.182	0.000	3.426
CHELPG
AIM
ESP

	x	y	z
x	2.971	-0.147	0.000
y	-0.147	3.997	0.000
z	0.000	0.000	1.796

<r²>	19.817
(<r²>)^1/2	4.452

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)