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	hartrees
Energy at 0K	-244.549111
Energy at 298.15K
HF Energy	-243.748187
Nuclear repulsion energy	125.786582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3242	3027	1.82
2	A'	3142	2933	1.29
3	A'	1519	1418	36.20
4	A'	1508	1408	44.55
5	A'	1471	1373	5.31
6	A'	1180	1102	0.30
7	A'	989	924	7.51
8	A'	700	653	27.61
9	A'	623	582	5.81
10	A"	3271	3054	0.25
11	A"	1766	1649	412.45
12	A"	1509	1409	30.53
13	A"	1159	1082	18.06
14	A"	501	468	1.03
15	A"	26	24	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.318	0.000
N2	-0.012	0.172	0.000
H3	1.044	-1.623	0.000
H4	-0.494	-1.655	0.901
H5	-0.494	-1.655	-0.901
O6	0.001	0.727	-1.076
O7	0.001	0.727	1.076

	C1	N2	H3	H4	H5	O6	O7
C1		1.4894	1.0859	1.0824	1.0824	2.3108	2.3108
N2	1.4894		2.0822	2.0928	2.0928	1.2111	1.2111
H3	1.0859	2.0822		1.7828	1.7828	2.7869	2.7869
H4	1.0824	2.0928	1.7828		1.8027	3.1351	2.4391
H5	1.0824	2.0928	1.7828	1.8027		2.4391	3.1351
O6	2.3108	1.2111	2.7869	3.1351	2.4391		2.1522
O7	2.3108	1.2111	2.7869	2.4391	3.1351	2.1522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.296	C1	N2	O7	117.296
N2	C1	H3	106.855	N2	C1	H4	107.876
N2	C1	H5	107.876	H3	C1	H4	110.614
H3	C1	H5	110.614	H4	C1	H5	112.753
O6	N2	O7	125.374

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

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

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