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	hartrees
Energy at 0K	-94.592060
Energy at 298.15K	-94.594970
HF Energy	-94.592060
Nuclear repulsion energy	32.665739

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'	3525	3409	16.00	97.26	0.68	0.81
2	A'	3346	3236	27.12	431.54	0.26	0.41
3	A'	2907	2812	117.39	184.00	0.54	0.70
4	A'	1686	1631	12.42	20.41	0.60	0.75
5	A'	1424	1377	17.58	13.78	0.15	0.26
6	A'	1373	1329	12.12	9.41	0.24	0.39
7	A'	1057	1022	24.16	13.36	0.31	0.47
8	A"	1149	1111	11.41	0.44	0.75	0.86
9	A"	807	780	146.79	0.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.792
N2	0.063	-0.527
H3	-1.012	1.099
H4	-0.759	-1.139
H5	0.950	-1.024

	C1	N2	H3	H4	H5
C1		1.3183	1.1179	2.0985	2.0212
N2	1.3183		1.9487	1.0254	1.0170
H3	1.1179	1.9487		2.2519	2.8908
H4	2.0985	1.0254	2.2519		1.7131
H5	2.0212	1.0170	2.8908	1.7131

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.666		C1	N2	H5	119.315
N2	C1	H3	105.945		H4	N2	H5	114.019

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/aug-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	-0.028
2	N	0.169
3	H	-0.141
4	H	-0.040
5	H	0.039

	x	y	z	Total
	-1.297	-3.231	0.000	3.481
CHELPG
AIM
ESP

	x	y	z
x	3.860	0.126	0.000
y	0.126	4.940	0.000
z	0.000	0.000	2.917

<r²>	20.188
(<r²>)^1/2	4.493

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)