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	hartrees
Energy at 0K	-242.679013
Energy at 298.15K
HF Energy	-242.254005
Nuclear repulsion energy	122.080246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3039	1.44
2	A'	3175	2955	0.44
3	A'	1594	1483	13.10
4	A'	1496	1392	1.60
5	A'	1309	1218	52.00
6	A'	1194	1111	0.52
7	A'	879	818	1.38
8	A'	637	593	33.40
9	A'	563	524	6.32
10	A"	3299	3070	0.05
11	A"	1605	1493	4.93
12	A"	1524	1418	153.06
13	A"	1141	1061	25.93
14	A"	450	419	0.58
15	A"	29	27	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.003	-1.338	0.000
N2	-0.015	0.167	0.000
H3	1.045	-1.649	0.000
H4	-0.503	-1.658	0.903
H5	-0.503	-1.658	-0.903
O6	0.003	0.739	-1.130
O7	0.003	0.739	1.130

	C1	N2	H3	H4	H5	O6	O7
C1		1.5050	1.0878	1.0835	1.0835	2.3640	2.3640
N2	1.5050		2.1028	2.0941	2.0941	1.2666	1.2666
H3	1.0878	2.1028		1.7921	1.7921	2.8399	2.8399
H4	1.0835	2.0941	1.7921		1.8064	3.1834	2.4598
H5	1.0835	2.0941	1.7921	1.8064		2.4598	3.1834
O6	2.3640	1.2666	2.8399	3.1834	2.4598		2.2604
O7	2.3640	1.2666	2.8399	2.4598	3.1834	2.2604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.806	C1	N2	O7	116.806
N2	C1	H3	107.297	N2	C1	H4	106.868
N2	C1	H5	106.868	H3	C1	H4	111.254
H3	C1	H5	111.254	H4	C1	H5	112.939
O6	N2	O7	126.337

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

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

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