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	hartrees
Energy at 0K	-319.698263
Energy at 298.15K	-319.704039
HF Energy	-318.593454
Nuclear repulsion energy	188.626636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3055	3.52
2	A'	3098	2942	14.14
3	A'	1843	1750	247.27
4	A'	1522	1445	9.51
5	A'	1474	1400	13.35
6	A'	1306	1240	202.88
7	A'	1204	1144	4.34
8	A'	1070	1016	113.51
9	A'	867	824	214.52
10	A'	685	650	26.67
11	A'	592	562	3.69
12	A'	355	337	2.77
13	A"	3198	3036	12.31
14	A"	1497	1421	9.13
15	A"	1187	1127	0.92
16	A"	780	741	10.71
17	A"	223	212	0.61
18	A"	146	139	2.23

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.610	0.000
O2	-1.210	0.554	0.000
O3	0.749	1.555	0.000
O4	0.685	-0.567	0.000
C5	-0.139	-1.746	0.000
H6	0.567	-2.566	0.000
H7	-0.760	-1.781	0.887
H8	-0.760	-1.781	-0.887

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2113	1.2058	1.3616	2.3602	3.2266	2.6614	2.6614
O2	1.2113		2.1999	2.2013	2.5368	3.5907	2.5381	2.5381
O3	1.2058	2.1999		2.1231	3.4186	4.1256	3.7677	3.7677
O4	1.3616	2.2013	2.1231		1.4385	2.0029	2.0855	2.0855
C5	2.3602	2.5368	3.4186	1.4385		1.0825	1.0834	1.0834
H6	3.2266	3.5907	4.1256	2.0029	1.0825		1.7790	1.7790
H7	2.6614	2.5381	3.7677	2.0855	1.0834	1.7790		1.7745
H8	2.6614	2.5381	3.7677	2.0855	1.0834	1.7790	1.7745

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	114.861	O2	N1	O3	131.051
O2	N1	O4	117.528	O3	N1	O4	111.421
O4	C5	H6	104.322	O4	C5	H7	110.786
O4	C5	H8	110.786	H6	C5	H7	110.438
H6	C5	H8	110.438	H7	C5	H8	109.957

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

using model chemistry: MP2/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 CH3NO3 (Methyl nitrate)

using model chemistry: MP2/cc-pVTZ

States and conformations

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