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	hartrees
Energy at 0K	-94.592054
Energy at 298.15K	-94.594965
HF Energy	-94.592054
Nuclear repulsion energy	32.736279

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'	3542	3542	21.10	96.16	0.69	0.82
2	A'	3371	3371	19.01	419.03	0.25	0.40
3	A'	2924	2924	102.91	182.23	0.50	0.67
4	A'	1679	1679	15.63	19.75	0.60	0.75
5	A'	1431	1431	14.97	11.68	0.17	0.29
6	A'	1372	1372	12.98	14.99	0.13	0.22
7	A'	1068	1068	23.92	14.50	0.24	0.38
8	A"	1141	1141	10.70	0.20	0.75	0.86
9	A"	804	804	145.85	0.42	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.789
N2	0.063	-0.526
H3	-1.007	1.102
H4	-0.761	-1.132
H5	0.948	-1.025

	C1	N2	H3	H4	H5
C1		1.3149	1.1152	2.0909	2.0180
N2	1.3149		1.9482	1.0236	1.0157
H3	1.1152	1.9482		2.2478	2.8888
H4	2.0909	1.0236	2.2478		1.7127
H5	2.0180	1.0157	2.8888	1.7127

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.342		C1	N2	H5	119.410
N2	C1	H3	106.292		H4	N2	H5	114.247

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3LYPultrafine/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	0.136
2	N	0.363
3	H	-0.389
4	H	-0.052
5	H	-0.058

	x	y	z	Total
	-1.317	-3.198	0.000	3.459
CHELPG
AIM
ESP

	x	y	z
x	3.928	0.123	0.000
y	0.123	4.980	0.000
z	0.000	0.000	3.066

<r²>	20.217
(<r²>)^1/2	4.496

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3LYPultrafine/daug-cc-pVDZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)