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	hartrees
Energy at 0K	-93.918956
Energy at 298.15K	-93.921876
HF Energy	-93.918956
Nuclear repulsion energy	32.219141

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'	3351	3321	3.32	119.95	0.46	0.63
2	A'	3059	3032	111.12	454.55	0.33	0.50
3	A'	2703	2678	150.11	133.14	0.58	0.73
4	A'	1696	1681	1.41	46.26	0.41	0.58
5	A'	1412	1399	25.45	10.30	0.72	0.84
6	A'	1291	1279	10.16	1.72	0.71	0.83
7	A'	1053	1044	40.91	25.37	0.54	0.70
8	A"	1135	1125	12.25	1.14	0.75	0.86
9	A"	877	869	219.46	2.50	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.804
N2	0.063	-0.530
H3	-1.033	1.102
H4	-0.753	-1.187
H5	0.967	-1.025

	C1	N2	H3	H4	H5
C1		1.3341	1.1358	2.1512	2.0401
N2	1.3341		1.9665	1.0469	1.0309
H3	1.1358	1.9665		2.3066	2.9201
H4	2.1512	1.0469	2.3066		1.7276
H5	2.0401	1.0309	2.9201	1.7276

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.841		C1	N2	H5	118.659
N2	C1	H3	105.250		H4	N2	H5	112.500

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: PBEPBE/3-21G

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	-0.095
2	N	-0.653
3	H	0.133
4	H	0.285
5	H	0.331

	x	y	z	Total
	-1.180	-3.288	0.000	3.494
CHELPG
AIM
ESP

	x	y	z
x	2.675	-0.199	0.000
y	-0.199	3.744	0.000
z	0.000	0.000	1.194

<r²>	20.135
(<r²>)^1/2	4.487

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)