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	hartrees
Energy at 0K	-94.614579
Energy at 298.15K	-94.617491
HF Energy	-94.614579
Nuclear repulsion energy	32.856473

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'	3528	3405	17.80	93.71	0.66	0.79
2	A'	3359	3242	24.59	431.50	0.26	0.41
3	A'	2909	2808	105.99	177.39	0.53	0.69
4	A'	1690	1631	12.32	20.61	0.58	0.74
5	A'	1429	1379	18.34	14.32	0.12	0.21
6	A'	1384	1335	10.56	11.11	0.23	0.38
7	A'	1064	1027	24.58	14.15	0.27	0.42
8	A"	1157	1117	10.25	0.20	0.75	0.86
9	A"	805	777	144.21	0.48	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.523
H3	-1.002	1.095
H4	-0.758	-1.131
H5	0.945	-1.021

	C1	N2	H3	H4	H5
C1		1.3102	1.1081	2.0862	2.0116
N2	1.3102		1.9372	1.0210	1.0129
H3	1.1081	1.9372		2.2400	2.8753
H4	2.0862	1.0210	2.2400		1.7061
H5	2.0116	1.0129	2.8753	1.7061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.547		C1	N2	H5	119.421
N2	C1	H3	106.163		H4	N2	H5	114.032

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: TPSSh/aug-cc-pVTZ

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	-0.475
2	N	0.024
3	H	0.253
4	H	0.055
5	H	0.143

	x	y	z	Total
	-1.304	-3.232	0.000	3.485
CHELPG
AIM
ESP

	x	y	z
x	3.857	0.138	0.000
y	0.138	4.924	0.000
z	0.000	0.000	2.974

<r²>	20.022
(<r²>)^1/2	4.475

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: TPSSh/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)