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	hartrees
Energy at 0K	-244.379991
Energy at 298.15K	-244.384703
HF Energy	-243.670744
Nuclear repulsion energy	122.463257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3090	4.56
2	A'	3139	2948	15.82
3	A'	1571	1476	122.87
4	A'	1542	1448	4.52
5	A'	1480	1390	9.31
6	A'	1206	1132	2.35
7	A'	1035	972	157.71
8	A'	860	808	116.58
9	A'	689	647	160.13
10	A'	359	337	1.93
11	A"	3240	3043	14.87
12	A"	1527	1434	9.29
13	A"	1182	1110	1.93
14	A"	364	342	2.27
15	A"	219	206	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	1.322	0.316	0.000
O2	0.000	0.897	0.000
H3	1.981	1.175	0.000
H4	1.469	-0.292	0.889
H5	1.469	-0.292	-0.889
N6	-1.048	-0.028	0.000
O7	-0.689	-1.183	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4437	1.0827	1.0873	1.0873	2.3950	2.5083
O2	1.4437		2.0004	2.0888	2.0888	1.3983	2.1912
H3	1.0827	2.0004		1.7905	1.7905	3.2596	3.5623
H4	1.0873	2.0888	1.7905		1.7775	2.6828	2.4982
H5	1.0873	2.0888	1.7905	1.7775		2.6828	2.4982
N6	2.3950	1.3983	3.2596	2.6828	2.6828		1.2092
O7	2.5083	2.1912	3.5623	2.4982	2.4982	1.2092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	114.844	O2	C1	H3	103.790
O2	C1	H4	110.449	O2	C1	H5	110.449
O2	N6	O7	114.156	H3	C1	H4	111.196
H3	C1	H5	111.196	H4	C1	H5	109.650

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

using model chemistry: MP2=FULL/6-31+G**

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/6-31+G**

States and conformations

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