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	hartrees
Energy at 0K	-244.386036
Energy at 298.15K
HF Energy	-243.677341
Nuclear repulsion energy	124.334116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3093	1.34
2	A'	3134	2979	2.08
3	A'	1484	1410	10.91
4	A'	1435	1364	69.01
5	A'	1410	1340	3.43
6	A'	1134	1078	0.45
7	A'	952	905	9.89
8	A'	683	649	25.91
9	A'	606	576	4.07
10	A"	3280	3117	0.08
11	A"	1819	1729	92.45
12	A"	1472	1399	18.59
13	A"	1116	1061	2.38
14	A"	485	461	0.36
15	A"	25	24	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.319	0.000
N2	-0.013	0.172	0.000
H3	1.054	-1.632	0.000
H4	-0.499	-1.663	0.911
H5	-0.499	-1.663	-0.911
O6	0.002	0.729	-1.098
O7	0.002	0.729	1.098

	C1	N2	H3	H4	H5	O6	O7
C1		1.4909	1.0981	1.0950	1.0950	2.3235	2.3235
N2	1.4909		2.0958	2.1058	2.1058	1.2312	1.2312
H3	1.0981	2.0958		1.8007	1.8007	2.8082	2.8082
H4	1.0950	2.1058	1.8007		1.8221	3.1638	2.4513
H5	1.0950	2.1058	1.8007	1.8221		2.4513	3.1638
O6	2.3235	1.2312	2.8082	3.1638	2.4513		2.1958
O7	2.3235	1.2312	2.8082	2.4513	3.1638	2.1958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.887	C1	N2	O7	116.887
N2	C1	H3	107.122	N2	C1	H4	108.069
N2	C1	H5	108.069	H3	C1	H4	110.381
H3	C1	H5	110.381	H4	C1	H5	112.609
O6	N2	O7	126.187

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

using model chemistry: MP2=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: MP2=FULL/cc-pVDZ

States and conformations

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