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	hartrees
Energy at 0K	-94.440203
Energy at 298.15K	-94.443091
HF Energy	-94.440203
Nuclear repulsion energy	32.510073

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'	3421	3365	2.42	123.16	0.48	0.65
2	A'	3172	3120	92.85	460.68	0.32	0.49
3	A'	2814	2767	140.65	136.83	0.55	0.71
4	A'	1675	1647	1.53	42.61	0.40	0.58
5	A'	1422	1398	10.08	8.38	0.64	0.78
6	A'	1356	1334	15.27	3.18	0.74	0.85
7	A'	1046	1029	34.60	22.55	0.50	0.66
8	A"	1138	1119	10.47	1.35	0.75	0.86
9	A"	783	770	173.98	1.89	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.797
N2	0.063	-0.524
H3	-1.025	1.084
H4	-0.747	-1.175
H5	0.959	-1.023

	C1	N2	H3	H4	H5
C1		1.3209	1.1251	2.1318	2.0285
N2	1.3209		1.9413	1.0392	1.0259
H3	1.1251	1.9413		2.2758	2.8940
H4	2.1318	1.0392	2.2758		1.7134
H5	2.0285	1.0259	2.8940	1.7134

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.786		C1	N2	H5	119.082
N2	C1	H3	104.773		H4	N2	H5	112.132

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/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	-0.160
2	N	-0.591
3	H	0.099
4	H	0.305
5	H	0.347

	x	y	z	Total
	-1.074	-3.198	0.000	3.373
CHELPG
AIM
ESP

	x	y	z
x	2.891	-0.152	0.000
y	-0.152	4.006	0.000
z	0.000	0.000	1.423

<r²>	19.889
(<r²>)^1/2	4.460

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)