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	hartrees
Energy at 0K	-244.247212
Energy at 298.15K	-244.252084
HF Energy	-243.666594
Nuclear repulsion energy	124.443851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3066	8.59
2	A'	3189	2952	13.72
3	A'	1809	1675	144.72
4	A'	1586	1468	8.89
5	A'	1542	1428	1.47
6	A'	1270	1175	1.19
7	A'	1141	1056	245.63
8	A'	961	890	91.80
9	A'	817	757	32.43
10	A'	388	359	4.42
11	A"	3275	3032	19.26
12	A"	1576	1459	8.03
13	A"	1230	1138	2.01
14	A"	372	344	3.93
15	A"	239	221	0.29

Atom	x (Å)	y (Å)	z (Å)
C1	1.315	0.303	0.000
O2	0.000	0.869	0.000
H3	1.973	1.163	0.000
H4	1.473	-0.303	0.887
H5	1.473	-0.303	-0.887
N6	-1.028	-0.015	0.000
O7	-0.701	-1.153	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4312	1.0831	1.0864	1.0864	2.3646	2.4867
O2	1.4312		1.9948	2.0807	2.0807	1.3559	2.1397
H3	1.0831	1.9948		1.7856	1.7856	3.2243	3.5377
H4	1.0864	2.0807	1.7856		1.7749	2.6693	2.4968
H5	1.0864	2.0807	1.7856	1.7749		2.6693	2.4968
N6	2.3646	1.3559	3.2243	2.6693	2.6693		1.1841
O7	2.4867	2.1397	3.5377	2.4968	2.4968	1.1841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	116.056	O2	C1	H3	104.155
O2	C1	H4	110.734	O2	C1	H5	110.734
O2	N6	O7	114.624	H3	C1	H4	110.791
H3	C1	H5	110.791	H4	C1	H5	109.549

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

using model chemistry: CISD/6-31G*

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: CISD/6-31G*

States and conformations

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