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	hartrees
Energy at 0K	-244.620674
Energy at 298.15K	-244.625452
HF Energy	-243.760666
Nuclear repulsion energy	124.095948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3011	7.29
2	A'	3081	2900	14.82
3	A'	1716	1615	135.53
4	A'	1519	1430	8.54
5	A'	1469	1383	1.87
6	A'	1218	1146	0.51
7	A'	1071	1008	158.60
8	A'	901	848	97.60
9	A'	743	699	82.60
10	A'	374	352	2.89
11	A"	3159	2974	18.95
12	A"	1504	1416	8.41
13	A"	1185	1115	1.47
14	A"	354	333	2.26
15	A"	221	208	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	1.311	0.301	0.000
O2	0.000	0.875	0.000
H3	1.982	1.152	0.000
H4	1.468	-0.310	0.887
H5	1.468	-0.310	-0.887
N6	-1.018	-0.015	0.000
O7	-0.707	-1.154	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4316	1.0840	1.0880	1.0880	2.3509	2.4881
O2	1.4316		2.0013	2.0847	2.0847	1.3526	2.1489
H3	1.0840	2.0013		1.7855	1.7855	3.2194	3.5428
H4	1.0880	2.0847	1.7855		1.7737	2.6563	2.4964
H5	1.0880	2.0847	1.7855	1.7737		2.6563	2.4964
N6	2.3509	1.3526	3.2194	2.6563	2.6563		1.1805
O7	2.4881	2.1489	3.5428	2.4964	2.4964	1.1805

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.178	O2	C1	H3	104.570
O2	C1	H4	110.930	O2	C1	H5	110.930
O2	N6	O7	115.892	H3	C1	H4	110.581
H3	C1	H5	110.581	H4	C1	H5	109.195

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

using model chemistry: CCSD/cc-pVTZ

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: CCSD/cc-pVTZ

States and conformations

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