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	hartrees
Energy at 0K	-94.481612
Energy at 298.15K	-94.484534
HF Energy	-94.481612
Nuclear repulsion energy	32.903330

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'	3584	3439	16.41	92.38	0.63	0.77
2	A'	3418	3279	15.69	294.48	0.28	0.44
3	A'	2926	2807	117.10	161.92	0.48	0.65
4	A'	1702	1633	13.14	21.56	0.45	0.62
5	A'	1464	1404	10.15	7.55	0.35	0.52
6	A'	1397	1340	19.36	3.52	0.63	0.77
7	A'	1078	1035	25.76	9.49	0.53	0.69
8	A"	1170	1122	12.53	1.08	0.75	0.86
9	A"	822	788	172.04	0.76	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.786
N2	0.063	-0.521
H3	-1.007	1.087
H4	-0.754	-1.133
H5	0.945	-1.018

	C1	N2	H3	H4	H5
C1		1.3071	1.1112	2.0852	2.0078
N2	1.3071		1.9319	1.0202	1.0125
H3	1.1112	1.9319		2.2346	2.8709
H4	2.0852	1.0202	2.2346		1.7031
H5	2.0078	1.0125	2.8709	1.7031

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.819		C1	N2	H5	119.354
N2	C1	H3	105.757		H4	N2	H5	113.826

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/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	-0.182
2	N	-0.339
3	H	0.077
4	H	0.205
5	H	0.238

	x	y	z	Total
	-1.295	-3.226	0.000	3.476
CHELPG
AIM
ESP

	x	y	z
x	2.947	-0.156	0.000
y	-0.156	3.938	0.000
z	0.000	0.000	1.799

<r²>	19.712
(<r²>)^1/2	4.440

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/6-311G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)