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	hartrees
Energy at 0K	-318.973363
Energy at 298.15K	-318.978758
HF Energy	-318.347135
Nuclear repulsion energy	178.665386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3095	6.64
2	A'	3059	2952	19.93
3	A'	1785	1723	50.59
4	A'	1535	1482	11.92
5	A'	1478	1426	4.43
6	A'	1176	1135	0.19
7	A'	1143	1103	218.94
8	A'	955	922	115.10
9	A'	776	749	232.14
10	A'	606	585	26.80
11	A'	518	500	3.14
12	A'	308	297	2.79
13	A"	3186	3076	28.20
14	A"	1510	1457	10.45
15	A"	1150	1110	0.53
16	A"	638	616	7.14
17	A"	201	194	1.88
18	A"	121	117	5.69

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.647	0.000
O2	-1.283	0.582	0.000
O3	0.766	1.671	0.000
O4	0.755	-0.645	0.000
C5	-0.154	-1.839	0.000
H6	0.571	-2.664	0.000
H7	-0.778	-1.849	0.905
H8	-0.778	-1.849	-0.905

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2842	1.2789	1.4965	2.4913	3.3598	2.7667	2.7667
O2	1.2842		2.3200	2.3787	2.6721	3.7383	2.6430	2.6430
O3	1.2789	2.3200		2.3163	3.6291	4.3393	3.9490	3.9490
O4	1.4965	2.3787	2.3163		1.5007	2.0270	2.1489	2.1489
C5	2.4913	2.6721	3.6291	1.5007		1.0979	1.0992	1.0992
H6	3.3598	3.7383	4.3393	2.0270	1.0979		1.8174	1.8174
H7	2.7667	2.6430	3.9490	2.1489	1.0992	1.8174		1.8095
H8	2.7667	2.6430	3.9490	2.1489	1.0992	1.8174	1.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	112.443	O2	N1	O3	129.688
O2	N1	O4	117.407	O3	N1	O4	112.905
O4	C5	H6	101.401	O4	C5	H7	110.534
O4	C5	H8	110.534	H6	C5	H7	111.620
H6	C5	H8	111.620	H7	C5	H8	110.796

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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