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	hartrees
Energy at 0K	-244.624583
Energy at 298.15K	-244.629333
HF Energy	-243.759696
Nuclear repulsion energy	123.795889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3052	7.26
2	A'	3076	2939	15.30
3	A'	1702	1626	138.97
4	A'	1517	1450	8.35
5	A'	1466	1400	3.08
6	A'	1213	1159	0.42
7	A'	1061	1014	137.19
8	A'	887	847	85.15
9	A'	714	682	95.48
10	A'	371	354	2.65
11	A"	3154	3014	19.12
12	A"	1503	1436	8.34
13	A"	1182	1129	1.42
14	A"	353	338	2.26
15	A"	218	208	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.313	0.304	0.000
O2	0.000	0.877	0.000
H3	1.983	1.156	0.000
H4	1.470	-0.307	0.887
H5	1.470	-0.307	-0.887
N6	-1.019	-0.017	0.000
O7	-0.708	-1.158	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4326	1.0842	1.0882	1.0882	2.3541	2.4946
O2	1.4326		2.0027	2.0852	2.0852	1.3556	2.1543
H3	1.0842	2.0027		1.7861	1.7861	3.2234	3.5495
H4	1.0882	2.0852	1.7861		1.7740	2.6582	2.5014
H5	1.0882	2.0852	1.7861	1.7740		2.6582	2.5014
N6	2.3541	1.3556	3.2234	2.6582	2.6582		1.1820
O7	2.4946	2.1543	3.5495	2.5014	2.5014	1.1820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.171	O2	C1	H3	104.600
O2	C1	H4	110.889	O2	C1	H5	110.889
O2	N6	O7	116.024	H3	C1	H4	110.610
H3	C1	H5	110.610	H4	C1	H5	109.192

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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