%chk=000058015.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058015

0 1
 O  -0.2254000       2.255600      0.6075000    
 O   -1.854200      -1.489800      0.9640000    
 O  -0.3976000      0.5237000       2.114200    
 N    2.876500       1.158300     -0.4926000    
 N   -5.691400     -5.2999998E-03  -1.523000    
 C    4.308900       1.442100     -0.3266000    
 C    2.662600      2.0999999E-03  -1.374300    
 C    5.045300      0.2382000      0.2632000    
 C    3.345300      -1.248700     -0.8191000    
 C    4.832700      -1.011000     -0.5841000    
 C    2.178900       2.334100      -1.012600    
 C    1.869300       3.309300      0.1186000    
 C    1.003800       2.663300       1.192100    
 C  -0.8229000       1.167300       1.167600    
 C   -2.092300      0.8448000      0.4682000    
 C  -0.1294000      -3.129500      0.6659000    
 C   -2.555500     -0.4689000      0.3953000    
 C   -1.408000      -2.530600      9.7400002E-02
 C   0.4149000      -4.243700     -0.2235000    
 C   -2.824200       1.876100     -0.1204000    
 C   -3.750600     -0.7513000     -0.2661000    
 C   -4.482400      0.2800000     -0.8549000    
 C   -4.019200       1.593600     -0.7820000    
 C    1.714800      -4.809800      0.3252000    
 H    4.768100       1.713400      -1.286600    
 H    4.461600       2.285900      0.3550000    
 H    1.589500     -0.2109000      -1.456200    
 H    3.034400      0.2089000      -2.386400    
 H    6.116600      0.4577000      0.3347000    
 H    4.687500      5.2999999E-02   1.284100    
 H    2.871200      -1.532900      0.1282000    
 H    3.207400      -2.086300      -1.512000    
 H    5.279200      -1.881100     -9.0499997E-02
 H    5.341000     -0.8904000      -1.548700    
 H    1.228200       2.044500      -1.479400    
 H    2.757100       2.834900      -1.799900    
 H    2.783200       3.710900      0.5683000    
 H    1.327300       4.160700     -0.3121000    
 H   0.7775000       3.406600       1.964600    
 H    1.536900       1.835000       1.672500    
 H  -0.3228000      -3.509700       1.676600    
 H   0.6183000      -2.335800      0.7836000    
 H   -1.214400      -2.140000     -0.9101000    
 H   -2.188800      -3.297000      3.3599999E-02
 H   0.5922000      -3.859400      -1.234800    
 H  -0.3239000      -5.049100     -0.3067000    
 H   -2.496200       2.910900     -6.9200002E-02
 H   -4.119100      -1.773200     -0.3169000    
 H   -4.582300       2.406200      -1.234200    
 H    2.485300      -4.036200      0.3940000    
 H    2.088500      -5.603200     -0.3295000    
 H    1.566000      -5.235000       1.322900    
 H   -6.026900     -0.9577000      -1.578200    
 H   -6.221300      0.7419000      -1.951700    


%chk=000058015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058015

0 1
O 0.294096 1.459217 0.688767
O -1.728074 -2.299867 0.558641
O 0.268590 -0.698128 1.567946
N 3.665648 2.367598 -0.702310
N -5.177557 -0.120591 -2.149873
C 4.938330 2.954817 -0.215486
C 3.752256 2.010792 -2.141351
C 6.114519 1.974526 -0.405171
C 4.888023 0.998576 -2.394740
C 6.238979 1.552686 -1.887049
C 2.484594 3.210846 -0.392186
C 2.037419 3.093844 1.083089
C 1.558591 1.686454 1.441443
C -0.278849 0.169123 0.843805
C -1.537364 0.058267 0.067732
C -1.622618 -4.610073 1.234484
C -2.264784 -1.174891 -0.060402
C -2.446330 -3.584741 0.452626
C -2.274788 -6.011943 1.220820
C -2.080202 1.203780 -0.579488
C -3.470229 -1.223950 -0.799009
C -3.988260 -0.060022 -1.428971
C -3.272928 1.167662 -1.311423
C -1.445428 -7.050607 2.006391
H 5.167841 3.912797 -0.757799
H 4.830427 3.206475 0.855383
H 2.782437 1.576757 -2.447785
H 3.928020 2.920969 -2.776948
H 7.050709 2.450308 -0.053694
H 5.935391 1.079535 0.221483
H 4.648921 0.058311 -1.861339
H 4.941267 0.768209 -3.476527
H 7.040138 0.799532 -2.011498
H 6.525849 2.435574 -2.496159
H 1.646600 2.871678 -1.028736
H 2.670966 4.287475 -0.639278
H 2.872447 3.357770 1.761357
H 1.225466 3.821615 1.275672
H 1.350723 1.574324 2.521470
H 2.299161 0.926272 1.136934
H -1.505944 -4.253116 2.274980
H -0.606146 -4.657854 0.800446
H -2.537910 -3.876176 -0.615572
H -3.465115 -3.480355 0.882978
H -2.398003 -6.355444 0.172871
H -3.294887 -5.951638 1.653221
H -1.529264 2.142419 -0.483012
H -4.019496 -2.165302 -0.895038
H -3.657782 2.075647 -1.789364
H -0.431266 -7.152391 1.577097
H -1.923644 -8.047015 1.988590
H -1.331676 -6.746936 3.063733
H -5.696181 -0.989704 -2.236179
H -5.551482 0.709388 -2.600572


