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	hartrees
Energy at 0K	-244.378476
Energy at 298.15K
HF Energy	-243.681116
Nuclear repulsion energy	125.250665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3085	1.75
2	A'	3117	2982	1.77
3	A'	1524	1458	86.34
4	A'	1483	1419	12.81
5	A'	1423	1361	1.02
6	A'	1147	1097	0.90
7	A'	983	941	10.19
8	A'	700	670	29.82
9	A'	628	601	6.69
10	A"	3254	3113	0.33
11	A"	1815	1736	305.20
12	A"	1471	1408	23.55
13	A"	1123	1074	11.05
14	A"	495	474	0.63
15	A"	37	35	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.317	0.000
N2	-0.013	0.176	0.000
H3	1.058	-1.628	0.000
H4	-0.500	-1.661	0.913
H5	-0.500	-1.661	-0.913
O6	0.001	0.726	-1.084
O7	0.001	0.726	1.084

	C1	N2	H3	H4	H5	O6	O7
C1		1.4929	1.1011	1.0974	1.0974	2.3123	2.3123
N2	1.4929		2.0975	2.1090	2.1090	1.2153	1.2153
H3	1.1011	2.0975		1.8058	1.8058	2.7981	2.7981
H4	1.0974	2.1090	1.8058		1.8268	3.1526	2.4453
H5	1.0974	2.1090	1.8058	1.8268		2.4453	3.1526
O6	2.3123	1.2153	2.7981	3.1526	2.4453		2.1674
O7	2.3123	1.2153	2.7981	2.4453	3.1526	2.1674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	116.891	C1	N2	O7	116.891
N2	C1	H3	106.950	N2	C1	H4	108.041
N2	C1	H5	108.041	H3	C1	H4	110.452
H3	C1	H5	110.452	H4	C1	H5	112.678
O6	N2	O7	126.181

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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