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	hartrees
Energy at 0K	-244.882736
Energy at 298.15K
HF Energy	-244.617175
Nuclear repulsion energy	124.710280

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3210	3.30
2	A'	3112	3112	1.76
3	A'	1510	1510	12.53
4	A'	1443	1443	0.06
5	A'	1405	1405	93.30
6	A'	1158	1158	0.68
7	A'	932	932	10.40
8	A'	672	672	21.66
9	A'	608	608	5.27
10	A"	3239	3239	1.26
11	A"	1647	1647	202.78
12	A"	1498	1498	43.04
13	A"	1133	1133	9.85
14	A"	486	486	0.53
15	A"	40	40	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.322	0.000
N2	-0.014	0.173	0.000
H3	1.046	-1.627	0.000
H4	-0.494	-1.663	0.903
H5	-0.494	-1.663	-0.903
O6	0.002	0.730	-1.092
O7	0.002	0.730	1.092

	C1	N2	H3	H4	H5	O6	O7
C1		1.4959	1.0881	1.0845	1.0845	2.3245	2.3245
N2	1.4959		2.0889	2.1017	2.1017	1.2254	1.2254
H3	1.0881	2.0889		1.7854	1.7854	2.7992	2.7992
H4	1.0845	2.1017	1.7854		1.8057	3.1540	2.4504
H5	1.0845	2.1017	1.7854	1.8057		2.4504	3.1540
O6	2.3245	1.2254	2.7992	3.1540	2.4504		2.1835
O7	2.3245	1.2254	2.7992	2.4504	3.1540	2.1835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.988	C1	N2	O7	116.988
N2	C1	H3	106.816	N2	C1	H4	108.007
N2	C1	H5	108.007	H3	C1	H4	110.530
H3	C1	H5	110.530	H4	C1	H5	112.709
O6	N2	O7	125.984

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

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

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