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	hartrees
Energy at 0K	-244.499413
Energy at 298.15K
HF Energy	-243.688230
Nuclear repulsion energy	125.848135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3069	0.84
2	A'	3139	2973	0.76
3	A'	1534	1453	68.48
4	A'	1503	1423	16.09
5	A'	1451	1374	2.26
6	A'	1171	1109	1.12
7	A'	983	931	6.53
8	A'	698	661	28.59
9	A'	635	602	5.67
10	A"	3269	3096	0.03
11	A"	1808	1712	323.24
12	A"	1497	1418	26.94
13	A"	1142	1082	10.39
14	A"	492	466	0.89
15	A"	20i	19i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.311	0.000
N2	-0.010	0.174	0.000
H3	1.045	-1.620	0.000
H4	-0.495	-1.650	0.905
H5	-0.495	-1.650	-0.905
O6	0.001	0.723	-1.079
O7	0.001	0.723	1.079

	C1	N2	H3	H4	H5	O6	O7
C1		1.4854	1.0891	1.0858	1.0858	2.3032	2.3032
N2	1.4854		2.0812	2.0929	2.0929	1.2110	1.2110
H3	1.0891	2.0812		1.7865	1.7865	2.7830	2.7830
H4	1.0858	2.0929	1.7865		1.8097	3.1328	2.4308
H5	1.0858	2.0929	1.7865	1.8097		2.4308	3.1328
O6	2.3032	1.2110	2.7830	3.1328	2.4308		2.1583
O7	2.3032	1.2110	2.7830	2.4308	3.1328	2.1583

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.974	C1	N2	O7	116.974
N2	C1	H3	106.866	N2	C1	H4	107.967
N2	C1	H5	107.967	H3	C1	H4	110.452
H3	C1	H5	110.452	H4	C1	H5	112.891
O6	N2	O7	126.030

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

using model chemistry: CCD/6-31G(2df,p)

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: CCD/6-31G(2df,p)

States and conformations

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