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	hartrees
Energy at 0K	-244.677619
Energy at 298.15K
HF Energy	-243.751022
Nuclear repulsion energy	124.212650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3185	3006
2	A'	3084	2911
3	A'	1487	1403
4	A'	1419	1340
5	A'	1375	1298
6	A'	1138	1074
7	A'	912	861
8	A'	658	621
9	A'	595	562
10	A"	3209	3029
11	A"	1628	1537
12	A"	1480	1397
13	A"	1114	1052
14	A"	473	447
15	A"	43i	41i

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.324	0.000
N2	-0.010	0.170	0.000
H3	1.046	-1.629	0.000
H4	-0.496	-1.662	0.905
H5	-0.496	-1.662	-0.905
O6	0.001	0.732	-1.099
O7	0.001	0.732	1.099

	C1	N2	H3	H4	H5	O6	O7
C1		1.4945	1.0891	1.0862	1.0862	2.3310	2.3310
N2	1.4945		2.0869	2.1005	2.1005	1.2338	1.2338
H3	1.0891	2.0869		1.7882	1.7882	2.8062	2.8062
H4	1.0862	2.1005	1.7882		1.8105	3.1609	2.4522
H5	1.0862	2.1005	1.7882	1.8105		2.4522	3.1609
O6	2.3310	1.2338	2.8062	3.1609	2.4522		2.1972
O7	2.3310	1.2338	2.8062	2.4522	3.1609	2.1972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.059	C1	N2	O7	117.059
N2	C1	H3	106.696	N2	C1	H4	107.916
N2	C1	H5	107.916	H3	C1	H4	110.573
H3	C1	H5	110.573	H4	C1	H5	112.898
O6	N2	O7	125.861

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

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

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