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	hartrees
Energy at 0K	-242.770661
Energy at 298.15K	-242.775279
HF Energy	-242.272963
Nuclear repulsion energy	118.132969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3058	7.83
2	A'	3099	2937	9.18
3	A'	1595	1512	6.74
4	A'	1512	1433	1.72
5	A'	1174	1112	10.08
6	A'	1161	1100	8.64
7	A'	975	924	129.37
8	A'	815	773	117.13
9	A'	668	633	72.79
10	A'	356	337	2.80
11	A"	3166	3001	25.15
12	A"	1586	1503	8.53
13	A"	1178	1117	0.43
14	A"	338	321	3.16
15	A"	218	207	0.63

Atom	x (Å)	y (Å)	z (Å)
C1	1.339	0.312	0.000
O2	0.000	0.963	0.000
H3	2.032	1.151	0.000
H4	1.474	-0.310	0.888
H5	1.474	-0.310	-0.888
N6	-1.098	-0.035	0.000
O7	-0.666	-1.233	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4888	1.0880	1.0930	1.0930	2.4618	2.5318
O2	1.4888		2.0411	2.1408	2.1408	1.4837	2.2953
H3	1.0880	2.0411		1.7985	1.7985	3.3476	3.6009
H4	1.0930	2.1408	1.7985		1.7766	2.7353	2.4945
H5	1.0930	2.1408	1.7985	1.7766		2.7353	2.4945
N6	2.4618	1.4837	3.3476	2.7353	2.7353		1.2743
O7	2.5318	2.2953	3.6009	2.4945	2.4945	1.2743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	111.828	O2	C1	H3	103.679
O2	C1	H4	111.104	O2	C1	H5	111.104
O2	N6	O7	112.433	H3	C1	H4	111.100
H3	C1	H5	111.100	H4	C1	H5	108.718

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

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

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