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	hartrees
Energy at 0K	-244.376707
Energy at 298.15K
HF Energy	-243.677075
Nuclear repulsion energy	124.251164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3094	1.41
2	A'	3129	2980	2.16
3	A'	1482	1411	10.78
4	A'	1433	1365	68.83
5	A'	1408	1341	3.37
6	A'	1133	1079	0.42
7	A'	950	905	9.91
8	A'	682	649	25.88
9	A'	605	576	4.05
10	A"	3273	3118	0.11
11	A"	1818	1732	91.66
12	A"	1470	1400	18.35
13	A"	1115	1062	2.41
14	A"	484	461	0.36
15	A"	22	21	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.320	0.000
N2	-0.013	0.172	0.000
H3	1.055	-1.633	0.000
H4	-0.499	-1.664	0.912
H5	-0.499	-1.664	-0.912
O6	0.002	0.730	-1.098
O7	0.002	0.730	1.098

	C1	N2	H3	H4	H5	O6	O7
C1		1.4923	1.0991	1.0960	1.0960	2.3253	2.3253
N2	1.4923		2.0976	2.1075	2.1075	1.2318	1.2318
H3	1.0991	2.0976		1.8025	1.8025	2.8102	2.8102
H4	1.0960	2.1075	1.8025		1.8239	3.1660	2.4529
H5	1.0960	2.1075	1.8025	1.8239		2.4529	3.1660
O6	2.3253	1.2318	2.8102	3.1660	2.4529		2.1970
O7	2.3253	1.2318	2.8102	2.4529	3.1660	2.1970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.885	C1	N2	O7	116.885
N2	C1	H3	107.108	N2	C1	H4	108.046
N2	C1	H5	108.046	H3	C1	H4	110.402
H3	C1	H5	110.402	H4	C1	H5	112.626
O6	N2	O7	126.191

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

using model chemistry: MP2/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/cc-pVDZ

States and conformations

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