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	hartrees
Energy at 0K	-169.811746
Energy at 298.15K	-169.815433
HF Energy	-169.811746
Nuclear repulsion energy	70.065356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3035	13.28
2	A'	3032	2918	2.27
3	A'	1650	1588	87.53
4	A'	1471	1415	30.43
5	A'	1380	1329	25.33
6	A'	1155	1112	19.23
7	A'	839	808	27.94
8	A'	560	539	1.20
9	A"	3122	3005	3.36
10	A"	1468	1413	13.21
11	A"	965	928	3.02
12	A"	170	163	1.52

Atom	x (Å)	y (Å)	z (Å)
C1	-0.952	-0.571	0.000
N2	0.000	0.572	0.000
O3	1.165	0.230	0.000
H4	-0.431	-1.532	0.000
H5	-1.588	-0.446	0.883
H6	-1.588	-0.446	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4874	2.2641	1.0931	1.0954	1.0954
N2	1.4874		1.2142	2.1473	2.0825	2.0825
O3	2.2641	1.2142		2.3779	2.9694	2.9694
H4	1.0931	2.1473	2.3779		1.8158	1.8158
H5	1.0954	2.0825	2.9694	1.8158		1.7666
H6	1.0954	2.0825	2.9694	1.8158	1.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.482	N2	C1	H4	111.723
N2	C1	H5	106.486	N2	C1	H6	106.486
H4	C1	H5	112.143	H4	C1	H6	112.143
H5	C1	H6	107.494

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: TPSSh/6-31+G**

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	-0.444
2	N	-0.030
3	O	-0.074
4	H	0.181
5	H	0.184
6	H	0.184

	x	y	z	Total
	-2.101	-1.450	0.000	2.553
CHELPG
AIM
ESP

	x	y	z
x	5.034	0.352	0.000
y	0.352	3.676	0.000
z	0.000	0.000	2.899

<r²>	41.908
(<r²>)^1/2	6.474

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)