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	hartrees
Energy at 0K	-64.648065
Energy at 298.15K	-64.653760
HF Energy	-63.816001
Nuclear repulsion energy	103.667149

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3243	3079	10.62
2	A'	3109	2952	23.62
3	A'	1854	1761	199.41
4	A'	1525	1448	9.49
5	A'	1487	1412	11.36
6	A'	1301	1236	236.12
7	A'	1209	1148	4.68
8	A'	1050	997	129.04
9	A'	858	815	196.84
10	A'	668	634	12.35
11	A'	572	543	1.31
12	A'	345	328	2.64
13	A"	3228	3065	26.11
14	A"	1500	1424	7.03
15	A"	1185	1125	0.39
16	A"	730	693	7.74
17	A"	239	227	1.18
18	A"	140	133	3.46

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.619	0.000
O2	-1.241	0.551	0.000
O3	0.739	1.612	0.000
O4	0.730	-0.607	0.000
C5	-0.143	-1.768	0.000
H6	0.575	-2.601	0.000
H7	-0.770	-1.785	0.905
H8	-0.770	-1.785	-0.905

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2431	1.2377	1.4271	2.3917	3.2710	2.6820	2.6820
O2	1.2431		2.2464	2.2864	2.5660	3.6377	2.5494	2.5494
O3	1.2377	2.2464		2.2192	3.4937	4.2164	3.8260	3.8260
O4	1.4271	2.2864	2.2192		1.4533	2.0001	2.1115	2.1115
C5	2.3917	2.5660	3.4937	1.4533		1.0996	1.1009	1.1009
H6	3.2710	3.6377	4.2164	2.0001	1.0996		1.8146	1.8146
H7	2.6820	2.5494	3.8260	2.1115	1.1009	1.8146		1.8098
H8	2.6820	2.5494	3.8260	2.1115	1.1009	1.8146	1.8098

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	112.270	O2	N1	O3	129.784
O2	N1	O4	117.638	O3	N1	O4	112.578
O4	C5	H6	102.270	O4	C5	H7	110.768
O4	C5	H8	110.768	H6	C5	H7	111.109
H6	C5	H8	111.109	H7	C5	H8	110.567

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

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 CH3NO3 (Methyl nitrate)

using model chemistry: MP2/CEP-31G*

States and conformations

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