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	hartrees
Energy at 0K	-244.374490
Energy at 298.15K
HF Energy	-243.651115
Nuclear repulsion energy	123.299202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3209	3064
2	A'	3106	2966
3	A'	1515	1447
4	A'	1442	1377
5	A'	1386	1323
6	A'	1154	1101
7	A'	907	866
8	A'	654	625
9	A'	589	562
10	A"	3234	3088
11	A"	1674	1598
12	A"	1509	1441
13	A"	1125	1075
14	A"	474	452
15	A"	25	24

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.328	0.000
N2	-0.015	0.169	0.000
H3	1.052	-1.635	0.000
H4	-0.499	-1.666	0.909
H5	-0.499	-1.666	-0.909
O6	0.002	0.735	-1.111
O7	0.002	0.735	1.111

	C1	N2	H3	H4	H5	O6	O7
C1		1.4978	1.0942	1.0913	1.0913	2.3431	2.3431
N2	1.4978		2.0964	2.1045	2.1045	1.2467	1.2467
H3	1.0942	2.0964		1.7980	1.7980	2.8202	2.8202
H4	1.0913	2.1045	1.7980		1.8175	3.1771	2.4608
H5	1.0913	2.1045	1.7980	1.8175		2.4608	3.1771
O6	2.3431	1.2467	2.8202	3.1771	2.4608		2.2220
O7	2.3431	1.2467	2.8202	2.4608	3.1771	2.2220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.955	C1	N2	O7	116.955
N2	C1	H3	106.927	N2	C1	H4	107.720
N2	C1	H5	107.720	H3	C1	H4	110.719
H3	C1	H5	110.719	H4	C1	H5	112.770
O6	N2	O7	126.041

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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