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	hartrees
Energy at 0K	-242.775877
Energy at 298.15K	-242.780019
HF Energy	-242.274783
Nuclear repulsion energy	118.035349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3110	3014	13.80
2	A'	3036	2942	31.53
3	A'	1583	1534	4.17
4	A'	1487	1441	12.33
5	A'	1364	1322	91.09
6	A'	1179	1142	5.83
7	A'	979	948	66.46
8	A'	809	784	166.19
9	A'	535	518	2.86
10	A'	330	320	5.72
11	A"	3113	3017	29.57
12	A"	1566	1518	2.40
13	A"	1150	1115	0.19
14	A"	193	187	0.64
15	A"	95	92	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	1.344	0.322	0.000
O2	0.000	0.972	0.000
H3	2.038	1.165	0.000
H4	1.478	-0.299	0.893
H5	1.478	-0.299	-0.893
N6	-1.103	-0.063	0.000
O7	-0.667	-1.229	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4932	1.0926	1.0961	1.0961	2.4774	2.5396
O2	1.4932		2.0475	2.1445	2.1445	1.5127	2.3004
H3	1.0926	2.0475		1.8049	1.8049	3.3732	3.6129
H4	1.0961	2.1445	1.8049		1.7863	2.7416	2.5024
H5	1.0961	2.1445	1.8049	1.7863		2.7416	2.5024
N6	2.4774	1.5127	3.3732	2.7416	2.7416		1.2459
O7	2.5396	2.3004	3.6129	2.5024	2.5024	1.2459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	111.012	O2	C1	H3	103.629
O2	C1	H4	110.901	O2	C1	H5	110.901
O2	N6	O7	112.648	H3	C1	H4	111.099
H3	C1	H5	111.099	H4	C1	H5	109.143

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

using model chemistry: QCISD/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: QCISD/3-21G

States and conformations

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