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	hartrees
Energy at 0K	-319.386904
Energy at 298.15K	-319.392611
HF Energy	-318.475472
Nuclear repulsion energy	186.896416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3080	2.91
2	A'	3148	2956	15.89
3	A'	1843	1731	243.81
4	A'	1552	1457	10.54
5	A'	1501	1410	8.17
6	A'	1303	1224	220.53
7	A'	1214	1140	6.57
8	A'	1056	992	121.91
9	A'	851	799	215.55
10	A'	674	633	23.19
11	A'	578	543	3.34
12	A'	347	326	2.92
13	A"	3260	3062	11.84
14	A"	1525	1432	8.95
15	A"	1194	1121	1.52
16	A"	746	700	8.77
17	A"	227	213	1.03
18	A"	134	126	2.98

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.618	0.000
O2	-1.224	0.548	0.000
O3	0.731	1.595	0.000
O4	0.721	-0.601	0.000
C5	-0.143	-1.755	0.000
H6	0.562	-2.580	0.000
H7	-0.762	-1.773	0.892
H8	-0.762	-1.773	-0.892

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2261	1.2199	1.4166	2.3778	3.2466	2.6636	2.6636
O2	1.2261		2.2175	2.2591	2.5445	3.6014	2.5294	2.5294
O3	1.2199	2.2175		2.1963	3.4623	4.1778	3.7904	3.7904
O4	1.4166	2.2591	2.1963		1.4414	1.9846	2.0897	2.0897
C5	2.3778	2.5445	3.4623	1.4414		1.0843	1.0858	1.0858
H6	3.2466	3.6014	4.1778	1.9846	1.0843		1.7881	1.7881
H7	2.6636	2.5294	3.7904	2.0897	1.0858	1.7881		1.7840
H8	2.6636	2.5294	3.7904	2.0897	1.0858	1.7881	1.7840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	112.602	O2	N1	O3	130.080
O2	N1	O4	117.306	O3	N1	O4	112.614
O4	C5	H6	102.660	O4	C5	H7	110.775
O4	C5	H8	110.775	H6	C5	H7	110.964
H6	C5	H8	110.964	H7	C5	H8	110.479

All results from a given calculation for CH₃NO₃ (Methyl nitrate)

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 CH3NO3 (Methyl nitrate)

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

States and conformations

All results from a given calculation for CH₃NO₃ (Methyl nitrate)