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	hartrees
Energy at 0K	-48.484529
Energy at 298.15K	-48.489006
HF Energy	-48.042068
Nuclear repulsion energy	65.683918

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3116	20.24
2	A'	3056	2953	28.20
3	A'	1516	1465	7.98
4	A'	1464	1415	2.52
5	A'	1315	1270	68.83
6	A'	1162	1123	7.06
7	A'	951	919	196.48
8	A'	784	757	110.40
9	A'	643	621	123.88
10	A'	306	295	1.86
11	A"	3173	3066	49.81
12	A"	1500	1449	9.44
13	A"	1138	1100	0.99
14	A"	325	314	5.43
15	A"	191	184	0.44

Atom	x (Å)	y (Å)	z (Å)
C1	1.398	0.360	0.000
O2	0.000	0.932	0.000
H3	2.028	1.264	0.000
H4	1.560	-0.254	0.908
H5	1.560	-0.254	-0.908
N6	-1.112	-0.038	0.000
O7	-0.719	-1.263	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.5106	1.1020	1.1074	1.1074	2.5410	2.6671
O2	1.5106		2.0545	2.1592	2.1592	1.4755	2.3093
H3	1.1020	2.0545		1.8294	1.8294	3.3986	3.7320
H4	1.1074	2.1592	1.8294		1.8157	2.8295	2.6523
H5	1.1074	2.1592	1.8294	1.8157		2.8295	2.6523
N6	2.5410	1.4755	3.3986	2.8295	2.8295		1.2857
O7	2.6671	2.3093	3.7320	2.6523	2.6523	1.2857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	116.622	O2	C1	H3	102.572
O2	C1	H4	110.174	O2	C1	H5	110.174
O2	N6	O7	113.338	H3	C1	H4	111.787
H3	C1	H5	111.787	H4	C1	H5	110.126

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

using model chemistry: MP2/CEP-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: MP2/CEP-31G

States and conformations

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