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	hartrees
Energy at 0K	-245.037021
Energy at 298.15K	-245.041651
HF Energy	-245.037021
Nuclear repulsion energy	123.074088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3062	8.64
2	A'	3043	2937	12.15
3	A'	1679	1620	142.75
4	A'	1498	1445	5.68
5	A'	1439	1388	3.21
6	A'	1184	1142	0.50
7	A'	994	959	80.89
8	A'	866	836	67.02
9	A'	661	638	109.70
10	A'	347	335	2.19
11	A"	3120	3010	19.20
12	A"	1484	1432	7.76
13	A"	1156	1115	1.05
14	A"	378	365	1.59
15	A"	178	171	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	1.322	0.309	0.000
O2	0.000	0.878	0.000
H3	1.992	1.168	0.000
H4	1.476	-0.306	0.891
H5	1.476	-0.306	-0.891
N6	-1.026	-0.018	0.000
O7	-0.712	-1.164	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4395	1.0890	1.0932	1.0932	2.3713	2.5115
O2	1.4395		2.0134	2.0911	2.0911	1.3619	2.1621
H3	1.0890	2.0134		1.7976	1.7976	3.2430	3.5705
H4	1.0932	2.0911	1.7976		1.7815	2.6717	2.5132
H5	1.0932	2.0911	1.7976	1.7815		2.6717	2.5132
N6	2.3713	1.3619	3.2430	2.6717	2.6717		1.1886
O7	2.5115	2.1621	3.5705	2.5132	2.5132	1.1886

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.632	O2	C1	H3	104.699
O2	C1	H4	110.564	O2	C1	H5	110.564
O2	N6	O7	115.759	H3	C1	H4	110.919
H3	C1	H5	110.919	H4	C1	H5	109.130

All results from a given calculation for CH₃ONO (Methyl nitrite)

using model chemistry: TPSSh/6-31G(2df,p)

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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All results from a given calculation for CH3ONO (Methyl nitrite)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃ONO (Methyl nitrite)