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	hartrees
Energy at 0K	-318.967373
Energy at 298.15K	-318.972767
HF Energy	-318.346628
Nuclear repulsion energy	178.668651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3089	6.81
2	A'	3060	2947	20.08
3	A'	1786	1720	50.19
4	A'	1535	1478	11.93
5	A'	1478	1424	4.42
6	A'	1176	1133	0.20
7	A'	1143	1101	219.60
8	A'	956	920	115.62
9	A'	776	748	230.97
10	A'	606	584	26.31
11	A'	518	499	3.05
12	A'	308	296	2.80
13	A"	3187	3070	28.73
14	A"	1510	1454	10.47
15	A"	1151	1108	0.53
16	A"	639	615	7.16
17	A"	201	194	1.88
18	A"	121	116	5.70

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.647	0.000
O2	-1.283	0.583	0.000
O3	0.766	1.671	0.000
O4	0.754	-0.645	0.000
C5	-0.153	-1.840	0.000
H6	0.572	-2.664	0.000
H7	-0.778	-1.850	0.905
H8	-0.778	-1.850	-0.905

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2843	1.2790	1.4960	2.4915	3.3597	2.7673	2.7673
O2	1.2843		2.3202	2.3783	2.6725	3.7387	2.6439	2.6439
O3	1.2790	2.3202		2.3159	3.6293	4.3391	3.9496	3.9496
O4	1.4960	2.3783	2.3159		1.5007	2.0270	2.1490	2.1490
C5	2.4915	2.6725	3.6293	1.5007		1.0979	1.0992	1.0992
H6	3.3597	3.7387	4.3391	2.0270	1.0979		1.8174	1.8174
H7	2.7673	2.6439	3.9496	2.1490	1.0992	1.8174		1.8095
H8	2.7673	2.6439	3.9496	2.1490	1.0992	1.8174	1.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	112.488	O2	N1	O3	129.684
O2	N1	O4	117.405	O3	N1	O4	112.911
O4	C5	H6	101.403	O4	C5	H7	110.541
O4	C5	H8	110.541	H6	C5	H7	111.616
H6	C5	H8	111.616	H7	C5	H8	110.788

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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