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	hartrees
Energy at 0K	-94.545079
Energy at 298.15K	-94.547992
HF Energy	-94.545079
Nuclear repulsion energy	32.839242

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'	3605	3430	11.67	104.62	0.59	0.74
2	A'	3434	3267	17.31	283.23	0.26	0.42
3	A'	2928	2786	132.01	130.64	0.45	0.62
4	A'	1711	1628	9.59	26.48	0.44	0.61
5	A'	1463	1392	12.47	7.72	0.41	0.59
6	A'	1402	1334	20.64	6.81	0.65	0.79
7	A'	1078	1026	25.23	10.65	0.55	0.71
8	A"	1167	1111	10.78	1.22	0.75	0.86
9	A"	808	769	190.34	0.91	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.789
N2	0.062	-0.522
H3	-1.011	1.082
H4	-0.747	-1.144
H5	0.947	-1.015

	C1	N2	H3	H4	H5
C1		1.3114	1.1126	2.0951	2.0089
N2	1.3114		1.9304	1.0200	1.0125
H3	1.1126	1.9304		2.2414	2.8689
H4	2.0951	1.0200	2.2414		1.6987
H5	2.0089	1.0125	2.8689	1.6987

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.520		C1	N2	H5	119.088
N2	C1	H3	105.280		H4	N2	H5	113.392

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/6-31G**

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	-0.122
2	N	-0.531
3	H	0.074
4	H	0.274
5	H	0.305

	x	y	z	Total
	-1.187	-3.194	0.000	3.408
CHELPG
AIM
ESP

	x	y	z
x	2.751	-0.248	0.000
y	-0.248	3.697	0.000
z	0.000	0.000	1.456

<r²>	19.590
(<r²>)^1/2	4.426

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)