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	hartrees
Energy at 0K	-319.326275
Energy at 298.15K	-319.332108
HF Energy	-318.468431
Nuclear repulsion energy	189.125489

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3253	3053	4.41
2	A'	3140	2947	11.22
3	A'	1864	1749	424.41
4	A'	1558	1462	5.07
5	A'	1527	1433	43.41
6	A'	1428	1340	203.61
7	A'	1240	1163	3.21
8	A'	1114	1046	137.83
9	A'	951	892	117.26
10	A'	715	671	2.75
11	A'	616	578	4.67
12	A'	367	345	4.34
13	A"	3236	3036	11.79
14	A"	1538	1444	8.34
15	A"	1209	1134	1.18
16	A"	796	747	20.65
17	A"	232	218	0.89
18	A"	140	132	2.50

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.612	0.000
O2	-1.211	0.581	0.000
O3	0.753	1.553	0.000
O4	0.671	-0.569	0.000
C5	-0.133	-1.767	0.000
H6	0.595	-2.573	0.000
H7	-0.754	-1.817	0.891
H8	-0.754	-1.817	-0.891

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2109	1.2051	1.3584	2.3832	3.2406	2.6948	2.6948
O2	1.2109		2.1913	2.2051	2.5835	3.6346	2.5983	2.5983
O3	1.2051	2.1913		2.1232	3.4365	4.1291	3.7973	3.7973
O4	1.3584	2.2051	2.1232		1.4434	2.0059	2.0933	2.0933
C5	2.3832	2.5835	3.4365	1.4434		1.0866	1.0870	1.0870
H6	3.2406	3.6346	4.1291	2.0059	1.0866		1.7852	1.7852
H7	2.6948	2.5983	3.7973	2.0933	1.0870	1.7852		1.7820
H8	2.6948	2.5983	3.7973	2.0933	1.0870	1.7852	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	116.520	O2	N1	O3	130.174
O2	N1	O4	118.127	O3	N1	O4	111.699
O4	C5	H6	104.012	O4	C5	H7	110.853
O4	C5	H8	110.853	H6	C5	H7	110.436
H6	C5	H8	110.436	H7	C5	H8	110.115

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

using model chemistry: MP3=FULL/6-31G*

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: MP3=FULL/6-31G*

States and conformations

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