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	hartrees
Energy at 0K	-319.564564
Energy at 298.15K	-319.570351
HF Energy	-318.545963
Nuclear repulsion energy	188.334547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3234	3063	4.88
2	A'	3108	2944	14.56
3	A'	1880	1780	223.52
4	A'	1548	1466	7.86
5	A'	1507	1427	17.06
6	A'	1328	1258	212.51
7	A'	1224	1159	4.58
8	A'	1081	1024	112.57
9	A'	879	832	216.78
10	A'	691	654	28.86
11	A'	595	564	4.08
12	A'	358	339	2.50
13	A"	3208	3039	16.93
14	A"	1520	1440	10.23
15	A"	1207	1143	0.57
16	A"	771	731	12.85
17	A"	240	227	1.18
18	A"	139	131	2.78

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.618	0.000
O2	-1.209	0.553	0.000
O3	0.727	1.578	0.000
O4	0.713	-0.599	0.000
C5	-0.144	-1.744	0.000
H6	0.555	-2.577	0.000
H7	-0.769	-1.767	0.892
H8	-0.769	-1.767	-0.892

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2110	1.2043	1.4107	2.3661	3.2420	2.6600	2.6600
O2	1.2110		2.1905	2.2419	2.5323	3.5931	2.5252	2.5252
O3	1.2043	2.1905		2.1771	3.4341	4.1577	3.7714	3.7714
O4	1.4107	2.2419	2.1771		1.4305	1.9834	2.0876	2.0876
C5	2.3661	2.5323	3.4341	1.4305		1.0875	1.0894	1.0894
H6	3.2420	3.5931	4.1577	1.9834	1.0875		1.7901	1.7901
H7	2.6600	2.5252	3.7714	2.0876	1.0894	1.7901		1.7848
H8	2.6600	2.5252	3.7714	2.0876	1.0894	1.7901	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	112.770	O2	N1	O3	130.171
O2	N1	O4	117.347	O3	N1	O4	112.482
O4	C5	H6	103.099	O4	C5	H7	111.153
O4	C5	H8	111.153	H6	C5	H7	110.639
H6	C5	H8	110.639	H7	C5	H8	109.997

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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