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	hartrees
Energy at 0K	-94.466923
Energy at 298.15K	-94.469818
HF Energy	-94.466923
Nuclear repulsion energy	32.540477

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'	3436	3436	14.40	111.36	0.69	0.82
2	A'	3226	3226	65.74	674.04	0.29	0.45
3	A'	2843	2843	107.35	207.15	0.59	0.74
4	A'	1625	1625	6.93	31.57	0.58	0.73
5	A'	1407	1407	7.69	10.93	0.22	0.37
6	A'	1324	1324	14.01	32.16	0.15	0.27
7	A'	1031	1031	29.66	27.47	0.26	0.41
8	A"	1118	1118	10.48	0.26	0.75	0.86
9	A"	795	795	132.68	1.00	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.793
N2	0.063	-0.527
H3	-1.019	1.103
H4	-0.762	-1.151
H5	0.957	-1.027

	C1	N2	H3	H4	H5
C1		1.3200	1.1255	2.1123	2.0280
N2	1.3200		1.9558	1.0348	1.0242
H3	1.1255	1.9558		2.2682	2.9050
H4	2.1123	1.0348	2.2682		1.7231
H5	2.0280	1.0242	2.9050	1.7231

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.117		C1	N2	H5	119.263
N2	C1	H3	105.943		H4	N2	H5	113.620

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

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	0.001
2	N	0.242
3	H	-0.254
4	H	0.028
5	H	-0.017

	x	y	z	Total
	-1.250	-3.232	0.000	3.465
CHELPG
AIM
ESP

	x	y	z
x	4.189	0.247	0.000
y	0.247	5.415	0.000
z	0.000	0.000	3.174

<r²>	20.398
(<r²>)^1/2	4.516

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBEultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)