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	hartrees
Energy at 0K	-94.447407
Energy at 298.15K	-94.450317
HF Energy	-94.447407
Nuclear repulsion energy	32.798872

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'	3582	3404	9.99	104.72	0.56	0.72
2	A'	3407	3238	22.67	295.81	0.28	0.44
3	A'	2933	2787	133.61	128.83	0.46	0.63
4	A'	1732	1646	8.05	28.66	0.43	0.60
5	A'	1470	1397	12.48	7.14	0.46	0.63
6	A'	1411	1341	20.83	6.62	0.66	0.79
7	A'	1084	1030	26.26	11.48	0.55	0.71
8	A"	1170	1112	10.68	1.21	0.75	0.86
9	A"	804	764	199.24	0.93	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.790
N2	0.062	-0.522
H3	-1.012	1.082
H4	-0.747	-1.149
H5	0.949	-1.017

	C1	N2	H3	H4	H5
C1		1.3120	1.1136	2.1005	2.0126
N2	1.3120		1.9306	1.0234	1.0151
H3	1.1136	1.9306		2.2459	2.8723
H4	2.1005	1.0234	2.2459		1.7007
H5	2.0126	1.0151	2.8723	1.7007

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.739		C1	N2	H5	119.178
N2	C1	H3	105.193		H4	N2	H5	113.083

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBE1PBE/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	-0.155
2	N	-0.656
3	H	0.109
4	H	0.335
5	H	0.367

	x	y	z	Total
	-1.193	-3.218	0.000	3.432
CHELPG
AIM
ESP

	x	y	z
x	2.728	-0.236	0.000
y	-0.236	3.692	0.000
z	0.000	0.000	1.421

<r²>	19.649
(<r²>)^1/2	4.433

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBE1PBE/6-31G*

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)