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	hartrees
Energy at 0K	-244.488770
Energy at 298.15K
HF Energy	-243.696813
Nuclear repulsion energy	123.149282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3209	3135
2	A'	3106	3035
3	A'	1515	1480
4	A'	1442	1409
5	A'	1386	1354
6	A'	1154	1127
7	A'	907	886
8	A'	654	639
9	A'	589	575
10	A"	3234	3159
11	A"	1674	1635
12	A"	1509	1475
13	A"	1125	1099
14	A"	474	463
15	A"	25	25

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.335	0.000
N2	-0.011	0.171	0.000
H3	1.059	-1.641	0.000
H4	-0.502	-1.673	0.916
H5	-0.502	-1.673	-0.916
O6	0.001	0.738	-1.108
O7	0.001	0.738	1.108

	C1	N2	H3	H4	H5	O6	O7
C1		1.5061	1.1014	1.0984	1.0984	2.3503	2.3503
N2	1.5061		2.1040	2.1170	2.1170	1.2446	1.2446
H3	1.1014	2.1040		1.8101	1.8101	2.8291	2.8291
H4	1.0984	2.1170	1.8101		1.8326	3.1879	2.4702
H5	1.0984	2.1170	1.8101	1.8326		2.4702	3.1879
O6	2.3503	1.2446	2.8291	3.1879	2.4702		2.2160
O7	2.3503	1.2446	2.8291	2.4702	3.1879	2.2160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.081	C1	N2	O7	117.081
N2	C1	H3	106.558	N2	C1	H4	107.715
N2	C1	H5	107.715	H3	C1	H4	110.741
H3	C1	H5	110.741	H4	C1	H5	113.064
O6	N2	O7	125.814

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

using model chemistry: MP4/aug-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: MP4/aug-cc-pVDZ

States and conformations

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