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	hartrees
Energy at 0K	-244.448857
Energy at 298.15K
HF Energy	-243.699838
Nuclear repulsion energy	123.961559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3131	1.68
2	A'	3117	3021	2.25
3	A'	1478	1432	10.98
4	A'	1423	1379	36.47
5	A'	1407	1364	14.04
6	A'	1135	1100	0.14
7	A'	940	911	4.24
8	A'	669	648	23.14
9	A'	597	579	2.62
10	A"	3259	3159	0.02
11	A"	1762	1708	156.59
12	A"	1467	1422	21.26
13	A"	1118	1084	3.07
14	A"	480	465	0.87
15	A"	19	18	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.325	0.000
N2	-0.011	0.167	0.000
H3	1.054	-1.633	0.000
H4	-0.499	-1.664	0.912
H5	-0.499	-1.664	-0.912
O6	0.001	0.734	-1.100
O7	0.001	0.734	1.100

	C1	N2	H3	H4	H5	O6	O7
C1		1.4922	1.0971	1.0939	1.0939	2.3340	2.3340
N2	1.4922		2.0916	2.1030	2.1030	1.2372	1.2372
H3	1.0971	2.0916		1.8012	1.8012	2.8138	2.8138
H4	1.0939	2.1030	1.8012		1.8240	3.1696	2.4565
H5	1.0939	2.1030	1.8012	1.8240		2.4565	3.1696
O6	2.3340	1.2372	2.8138	3.1696	2.4565		2.1996
O7	2.3340	1.2372	2.8138	2.4565	3.1696	2.1996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.245	C1	N2	O7	117.245
N2	C1	H3	106.769	N2	C1	H4	107.827
N2	C1	H5	107.827	H3	C1	H4	110.591
H3	C1	H5	110.591	H4	C1	H5	112.964
O6	N2	O7	125.483

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

using model chemistry: MP2=FULL/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: MP2=FULL/aug-cc-pVDZ

States and conformations

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