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	hartrees
Energy at 0K	-244.451616
Energy at 298.15K	-244.456379
HF Energy	-243.723813
Nuclear repulsion energy	123.396327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3055	8.94
2	A'	3066	2935	15.91
3	A'	1713	1640	135.33
4	A'	1529	1463	9.76
5	A'	1483	1420	3.25
6	A'	1221	1169	0.42
7	A'	1063	1018	145.71
8	A'	888	851	77.63
9	A'	720	689	84.44
10	A'	375	359	2.66
11	A"	3145	3011	24.11
12	A"	1513	1448	9.56
13	A"	1190	1139	1.15
14	A"	352	337	3.09
15	A"	231	221	0.30

Atom	x (Å)	y (Å)	z (Å)
C1	1.319	0.317	0.000
O2	0.000	0.885	0.000
H3	1.982	1.182	0.000
H4	1.480	-0.294	0.893
H5	1.480	-0.294	-0.893
N6	-1.040	-0.034	0.000
O7	-0.697	-1.167	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4362	1.0895	1.0938	1.0938	2.3850	2.5034
O2	1.4362		2.0038	2.0920	2.0920	1.3876	2.1668
H3	1.0895	2.0038		1.7968	1.7968	3.2570	3.5626
H4	1.0938	2.0920	1.7968		1.7853	2.6856	2.5092
H5	1.0938	2.0920	1.7968	1.7853		2.6856	2.5092
N6	2.3850	1.3876	3.2570	2.6856	2.6856		1.1837
O7	2.5034	2.1668	3.5626	2.5092	2.5092	1.1837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.252	O2	C1	H3	104.160
O2	C1	H4	110.835	O2	C1	H5	110.835
O2	N6	O7	114.626	H3	C1	H4	110.771
H3	C1	H5	110.771	H4	C1	H5	109.395

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

using model chemistry: QCISD/6-311G*

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: QCISD/6-311G*

States and conformations

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