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	hartrees
Energy at 0K	-319.708493
Energy at 298.15K	-319.714247
HF Energy	-318.608103
Nuclear repulsion energy	188.686957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3065	3.01
2	A'	3104	2953	13.86
3	A'	1831	1743	261.91
4	A'	1524	1450	9.33
5	A'	1479	1408	12.19
6	A'	1303	1240	203.68
7	A'	1207	1149	4.92
8	A'	1068	1016	116.16
9	A'	866	824	218.54
10	A'	686	653	28.34
11	A'	592	563	4.47
12	A'	354	337	2.85
13	A"	3203	3047	11.28
14	A"	1499	1426	9.51
15	A"	1189	1132	0.87
16	A"	776	738	9.11
17	A"	222	211	0.61
18	A"	143	136	2.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.610	0.000
O2	-1.209	0.553	0.000
O3	0.748	1.556	0.000
O4	0.684	-0.566	0.000
C5	-0.139	-1.747	0.000
H6	0.570	-2.565	0.000
H7	-0.759	-1.783	0.887
H8	-0.759	-1.783	-0.887

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2107	1.2056	1.3610	2.3614	3.2261	2.6627	2.6627
O2	1.2107		2.1991	2.1995	2.5372	3.5902	2.5392	2.5392
O3	1.2056	2.1991		2.1233	3.4198	4.1247	3.7688	3.7688
O4	1.3610	2.1995	2.1233		1.4389	2.0018	2.0852	2.0852
C5	2.3614	2.5372	3.4198	1.4389		1.0823	1.0832	1.0832
H6	3.2261	3.5902	4.1247	2.0018	1.0823		1.7791	1.7791
H7	2.6627	2.5392	3.7688	2.0852	1.0832	1.7791		1.7750
H8	2.6627	2.5392	3.7688	2.0852	1.0832	1.7791	1.7750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	114.974	O2	N1	O3	131.041
O2	N1	O4	117.460	O3	N1	O4	111.498
O4	C5	H6	104.225	O4	C5	H7	110.746
O4	C5	H8	110.746	H6	C5	H7	110.485
H6	C5	H8	110.485	H7	C5	H8	110.032

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

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

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