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	hartrees
Energy at 0K	-241.697520
Energy at 298.15K	-241.701659
Nuclear repulsion energy	115.721947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3348	3097	0.64
2	A'	3148	2912	1.49
3	A'	1592	1473	7.68
4	A'	1542	1426	22.18
5	A'	1468	1358	16.56
6	A'	1129	1045	0.20
7	A'	1022	945	23.01
8	A'	858	793	38.11
9	A'	641	593	5.33
10	A'	310	287	0.71
11	A"	3298	3051	3.80
12	A"	1574	1457	5.08
13	A"	1104	1021	0.20
14	A"	327	303	0.11
15	A"	89	83	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.352	0.323	0.000
O2	0.000	0.998	0.000
H3	2.097	1.150	0.000
H4	1.487	-0.314	0.908
H5	1.487	-0.314	-0.908
N6	-1.129	-0.055	0.000
O7	-0.660	-1.258	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.5106	1.1129	1.1172	1.1172	2.5094	2.5584
O2	1.5106		2.1025	2.1807	2.1807	1.5439	2.3503
H3	1.1129	2.1025		1.8270	1.8270	3.4437	3.6600
H4	1.1172	2.1807	1.8270		1.8156	2.7811	2.5146
H5	1.1172	2.1807	1.8270	1.8156		2.7811	2.5146
N6	2.5094	1.5439	3.4437	2.7811	2.7811		1.2912
O7	2.5584	2.3503	3.6600	2.5146	2.5146	1.2912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	110.472	O2	C1	H3	105.522
O2	C1	H4	111.286	O2	C1	H5	111.286
O2	N6	O7	111.682	H3	C1	H4	110.018
H3	C1	H5	110.018	H4	C1	H5	108.687

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

using model chemistry: BLYP/STO-3G

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	-0.147
2	O	-0.074
3	H	0.095
4	H	0.090
5	H	0.090
6	N	0.024
7	O	-0.077

	x	y	z	Total
	1.794	-0.150	0.000	1.801
CHELPG
AIM
ESP

	x	y	z
x	2.990	0.750	0.000
y	0.750	2.739	0.000
z	0.000	0.000	1.241

<r²>	69.720
(<r²>)^1/2	8.350

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

using model chemistry: BLYP/STO-3G

States and conformations

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