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	hartrees
Energy at 0K	-319.470835
Energy at 298.15K	-319.476613
HF Energy	-318.545499
Nuclear repulsion energy	188.170770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3070	5.04
2	A'	3105	2951	14.69
3	A'	1876	1783	221.12
4	A'	1547	1470	7.93
5	A'	1505	1430	16.38
6	A'	1324	1258	212.82
7	A'	1223	1162	4.76
8	A'	1078	1025	112.40
9	A'	877	834	216.92
10	A'	689	655	29.05
11	A'	594	564	4.09
12	A'	357	340	2.46
13	A"	3206	3046	17.24
14	A"	1519	1444	10.01
15	A"	1205	1146	0.61
16	A"	768	730	12.72
17	A"	238	226	1.18
18	A"	138	131	2.77

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.612	0.000
O2	-1.211	0.575	0.000
O3	0.754	1.553	0.000
O4	0.677	-0.572	0.000
C5	-0.137	-1.760	0.000
H6	0.580	-2.574	0.000
H7	-0.759	-1.802	0.889
H8	-0.759	-1.802	-0.889

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2118	1.2060	1.3635	2.3760	3.2388	2.6825	2.6825
O2	1.2118		2.1952	2.2091	2.5705	3.6234	2.5786	2.5786
O3	1.2060	2.1952		2.1260	3.4308	4.1310	3.7866	3.7866
O4	1.3635	2.2091	2.1260		1.4404	2.0051	2.0895	2.0895
C5	2.3760	2.5705	3.4308	1.4404		1.0852	1.0858	1.0858
H6	3.2388	3.6234	4.1310	2.0051	1.0852		1.7830	1.7830
H7	2.6825	2.5786	3.7866	2.0895	1.0858	1.7830		1.7785
H8	2.6825	2.5786	3.7866	2.0895	1.0858	1.7830	1.7785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	115.832	O2	N1	O3	130.452
O2	N1	O4	118.024	O3	N1	O4	111.523
O4	C5	H6	104.222	O4	C5	H7	110.835
O4	C5	H8	110.835	H6	C5	H7	110.428
H6	C5	H8	110.428	H7	C5	H8	109.974

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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