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	hartrees
Energy at 0K	-94.567231
Energy at 298.15K	-94.570134
HF Energy	-94.567231
Nuclear repulsion energy	32.648704

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'	3523	3380	5.99	109.11	0.53	0.69
2	A'	3325	3190	40.18	340.74	0.30	0.46
3	A'	2893	2776	154.19	138.23	0.48	0.65
4	A'	1729	1659	4.69	32.36	0.42	0.60
5	A'	1441	1382	23.64	10.80	0.66	0.79
6	A'	1402	1346	9.47	2.52	0.26	0.41
7	A'	1072	1029	27.44	13.70	0.53	0.69
8	A"	1167	1120	10.39	1.33	0.75	0.86
9	A"	794	761	193.10	1.08	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.795
N2	0.062	-0.525
H3	-1.015	1.083
H4	-0.747	-1.158
H5	0.951	-1.021

	C1	N2	H3	H4	H5
C1		1.3197	1.1149	2.1138	2.0215
N2	1.3197		1.9350	1.0278	1.0179
H3	1.1149	1.9350		2.2564	2.8792
H4	2.1138	1.0278	2.2564		1.7042
H5	2.0215	1.0179	2.8792	1.7042

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.013		C1	N2	H5	119.154
N2	C1	H3	104.967		H4	N2	H5	112.834

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/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	-0.150
2	N	-0.630
3	H	0.100
4	H	0.323
5	H	0.357

	x	y	z	Total
	-1.150	-3.214	0.000	3.413
CHELPG
AIM
ESP

	x	y	z
x	2.792	-0.225	0.000
y	-0.225	3.790	0.000
z	0.000	0.000	1.418

<r²>	19.764
(<r²>)^1/2	4.446

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)