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	hartrees
Energy at 0K	-319.188998
Energy at 298.15K	-319.194914
HF Energy	-318.471412
Nuclear repulsion energy	190.503973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3326	3079	5.16
2	A'	3213	2975	12.91
3	A'	1874	1735	507.02
4	A'	1595	1477	2.94
5	A'	1572	1455	58.68
6	A'	1474	1364	232.88
7	A'	1276	1182	4.39
8	A'	1152	1067	171.89
9	A'	993	919	89.90
10	A'	744	689	0.78
11	A'	638	590	8.65
12	A'	373	345	4.81
13	A"	3314	3068	12.28
14	A"	1578	1461	8.02
15	A"	1242	1150	1.72
16	A"	842	779	25.95
17	A"	237	219	0.90
18	A"	146	135	2.48

Atom	x (Å)	y (Å)	z (Å)
N1	0.000	0.602	0.000
O2	-1.201	0.535	0.000
O3	0.697	1.572	0.000
O4	0.700	-0.566	0.000
C5	-0.118	-1.742	0.000
H6	0.609	-2.544	0.000
H7	-0.735	-1.779	0.890
H8	-0.735	-1.779	-0.890

	N1	O2	O3	O4	C5	H6	H7	H8
N1		1.2031	1.1944	1.3617	2.3471	3.2051	2.6462	2.6462
O2	1.2031		2.1631	2.1971	2.5217	3.5722	2.5228	2.5228
O3	1.1944	2.1631		2.1379	3.4128	4.1176	3.7515	3.7515
O4	1.3617	2.1971	2.1379		1.4326	1.9809	2.0794	2.0794
C5	2.3471	2.5217	3.4128	1.4326		1.0826	1.0835	1.0835
H6	3.2051	3.5722	4.1176	1.9809	1.0826		1.7843	1.7843
H7	2.6462	2.5228	3.7515	2.0794	1.0835	1.7843		1.7794
H8	2.6462	2.5228	3.7515	2.0794	1.0835	1.7843	1.7794

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	O4	C5	114.243	O2	N1	O3	128.900
O2	N1	O4	117.746	O3	N1	O4	113.353
O4	C5	H6	103.028	O4	C5	H7	110.697
O4	C5	H8	110.697	H6	C5	H7	110.914
H6	C5	H8	110.914	H7	C5	H8	110.394

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

using model chemistry: CISD/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: CISD/6-31G*

States and conformations

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