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	hartrees
Energy at 0K	-93.904483
Energy at 298.15K	-93.907426
HF Energy	-93.840963
Nuclear repulsion energy	32.449653

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'	3512	3512	12.68	95.29	0.54	0.70
2	A'	3323	3323	15.99	260.28	0.29	0.45
3	A'	2837	2837	145.99	119.80	0.45	0.62
4	A'	1770	1770	8.36	29.39	0.44	0.61
5	A'	1452	1452	34.05	13.00	0.75	0.86
6	A'	1345	1345	6.13	3.48	0.07	0.13
7	A'	1098	1098	26.39	12.00	0.63	0.77
8	A"	1174	1174	10.48	0.83	0.75	0.86
9	A"	910	910	247.47	1.22	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.799
N2	0.062	-0.532
H3	-1.013	1.110
H4	-0.752	-1.158
H5	0.954	-1.023

	C1	N2	H3	H4	H5
C1		1.3316	1.1190	2.1198	2.0286
N2	1.3316		1.9626	1.0269	1.0176
H3	1.1190	1.9626		2.2823	2.9009
H4	2.1198	1.0269	2.2823		1.7112
H5	2.0286	1.0176	2.9009	1.7112

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.522		C1	N2	H5	118.828
N2	C1	H3	106.100		H4	N2	H5	113.650

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/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	-0.058
2	N	-0.686
3	H	0.113
4	H	0.299
5	H	0.333

	x	y	z	Total
	-1.296	-3.310	0.000	3.554
CHELPG
AIM
ESP

	x	y	z
x	2.483	-0.314	-0.000
y	-0.314	3.408	-0.000
z	-0.000	-0.000	1.177

<r²>	20.005
(<r²>)^1/2	4.473

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)