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	hartrees
Energy at 0K	-319.768473
Energy at 298.15K	-319.774290
HF Energy	-318.595091
Nuclear repulsion energy	189.273917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3058	3.36
2	A'	3117	2960	13.93
3	A'	1853	1759	256.46
4	A'	1533	1456	10.41
5	A'	1484	1409	13.14
6	A'	1318	1252	203.46
7	A'	1209	1148	3.91
8	A'	1081	1026	114.25
9	A'	874	830	213.15
10	A'	692	657	26.23
11	A'	598	568	3.50
12	A'	358	340	2.91
13	A"	3202	3040	11.88
14	A"	1510	1433	9.52
15	A"	1194	1134	0.88
16	A"	796	756	11.01
17	A"	233	221	0.53
18	A"	149	142	2.28

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.609	0.000
O2	-1.208	0.550	0.000
O3	0.749	1.551	0.000
O4	0.684	-0.565	0.000
C5	-0.141	-1.740	0.000
H6	0.563	-2.559	0.000
H7	-0.760	-1.774	0.885
H8	-0.760	-1.774	-0.885

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2090	1.2032	1.3583	2.3527	3.2172	2.6526	2.6526
O2	1.2090		2.1976	2.1953	2.5259	3.5774	2.5262	2.5262
O3	1.2032	2.1976		2.1166	3.4085	4.1136	3.7563	3.7563
O4	1.3583	2.1953	2.1166		1.4352	1.9975	2.0803	2.0803
C5	2.3527	2.5259	3.4085	1.4352		1.0798	1.0806	1.0806
H6	3.2172	3.5774	4.1136	1.9975	1.0798		1.7747	1.7747
H7	2.6526	2.5262	3.7563	2.0803	1.0806	1.7747		1.7698
H8	2.6526	2.5262	3.7563	2.0803	1.0806	1.7747	1.7698

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	114.723	O2	N1	O3	131.286
O2	N1	O4	117.421	O3	N1	O4	111.294
O4	C5	H6	104.276	O4	C5	H7	110.783
O4	C5	H8	110.783	H6	C5	H7	110.465
H6	C5	H8	110.465	H7	C5	H8	109.955

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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