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	hartrees
Energy at 0K	-244.382194
Energy at 298.15K
HF Energy	-243.681872
Nuclear repulsion energy	125.543555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3053	1.38
2	A'	3140	2953	1.26
3	A'	1539	1447	87.55
4	A'	1487	1399	12.84
5	A'	1427	1342	1.62
6	A'	1150	1082	1.12
7	A'	995	935	10.34
8	A'	706	663	30.49
9	A'	631	593	6.49
10	A"	3278	3082	0.21
11	A"	1834	1724	307.67
12	A"	1476	1388	24.07
13	A"	1128	1061	10.46
14	A"	499	469	0.69
15	A"	40	37	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.314	0.000
N2	-0.013	0.175	0.000
H3	1.055	-1.625	0.000
H4	-0.498	-1.658	0.912
H5	-0.498	-1.658	-0.912
O6	0.001	0.725	-1.081
O7	0.001	0.725	1.081

	C1	N2	H3	H4	H5	O6	O7
C1		1.4891	1.0989	1.0951	1.0951	2.3074	2.3074
N2	1.4891		2.0934	2.1045	2.1045	1.2124	1.2124
H3	1.0989	2.0934		1.8016	1.8016	2.7932	2.7932
H4	1.0951	2.1045	1.8016		1.8230	3.1462	2.4411
H5	1.0951	2.1045	1.8016	1.8230		2.4411	3.1462
O6	2.3074	1.2124	2.7932	3.1462	2.4411		2.1610
O7	2.3074	1.2124	2.7932	2.4411	3.1462	2.1610

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.957	C1	N2	O7	116.957
N2	C1	H3	107.011	N2	C1	H4	108.075
N2	C1	H5	108.075	H3	C1	H4	110.394
H3	C1	H5	110.394	H4	C1	H5	112.674
O6	N2	O7	126.050

All results from a given calculation for CH₃NO₂ (Methane, nitro-)

using model chemistry: MP3=FULL/cc-pVDZ

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 CH3NO2 (Methane, nitro-)

using model chemistry: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO₂ (Methane, nitro-)