%chk=000120834.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120834

0 1
 O   0.6192000     -0.8741000      2.5100000E-02
 O  -0.1364000       1.864500      8.5299999E-02
 O   -3.837300     -0.5996000       1.170700    
 O   -2.053200       1.431900       1.606400    
 O  -0.6253000      -2.319000      -1.268500    
 O   -1.238500       1.391300      -1.878600    
 N    3.837200     -0.2735000      8.1600003E-02
 C    2.685600      0.2149000     -0.7373000    
 C    1.730800     -0.9790000     -0.8838000    
 C    2.591400      -2.169600     -0.4782000    
 C    3.458100      -1.582800      0.6234000    
 C    2.204800       1.466000     -7.1900003E-02
 C    4.070300      0.7410000       1.129000    
 C    2.997100       1.764100      0.9624000    
 C   -2.757200     -0.4219000      0.2255000    
 C   -1.593000      -1.340800      0.7371000    
 C   -2.391200       1.105000      0.2525000    
 C    1.067200       2.278000     -0.5845000    
 C  -0.5026000      -1.580700     -0.2988000    
 C   -3.313300     -0.8866000      -1.133800    
 C   -1.204700       1.456400     -0.6561000    
 C   -2.058300      -2.722900       1.226700    
 C   -3.550600       2.037500     -0.1342000    
 H    3.092500      0.4662000      -1.725500    
 H    1.374900      -1.063600      -1.917300    
 H    3.214800      -2.495300      -1.319700    
 H    2.010000      -3.022300     -0.1153000    
 H    2.869800      -1.500000       1.546400    
 H    4.337400      -2.201900      0.8241000    
 H    5.049500       1.204700      0.9691000    
 H    4.055700      0.3251000       2.142500    
 H    2.892800       2.635900       1.591900    
 H   -1.129200     -0.8744000       1.616400    
 H    1.216300       3.337300     -0.3484000    
 H   0.9946000       2.195800      -1.674300    
 H   -3.590400      -1.945800      -1.105100    
 H   -4.239800     -0.3568000      -1.380600    
 H   -2.608400     -0.7413000      -1.955300    
 H   -2.587600      -3.277800      0.4459000    
 H   -1.198800      -3.332600       1.529400    
 H   -2.718100      -2.638700       2.095900    
 H   -4.414700       1.889500      0.5224000    
 H   -3.256600       3.088800     -2.5000000E-02
 H   -3.868400       1.896100      -1.171600    
 H   -3.530500     -0.2684000       2.032400    
 H   -1.874700       2.386700       1.653000    


%chk=000120834-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000120834

0 1
O 0.636231 -0.792041 0.072555
O -0.214660 2.129698 0.113787
O -3.870081 -0.450239 1.291286
O -2.235953 1.558915 1.570308
O -0.571736 -2.401947 -1.105990
O -0.919546 1.039189 -1.831104
N 3.778490 -0.236868 0.123667
C 2.679848 0.317460 -0.746911
C 1.695731 -0.857782 -0.983254
C 2.590839 -2.099360 -0.788540
C 3.538347 -1.686903 0.362345
C 2.203120 1.561739 -0.002746
C 3.963945 0.638801 1.313106
C 2.943860 1.745337 1.122814
C -2.788912 -0.438574 0.291629
C -1.586847 -1.305403 0.872758
C -2.393774 1.105458 0.169351
C 1.123562 2.478382 -0.500422
C -0.503019 -1.582177 -0.162697
C -3.386637 -1.020980 -0.993070
C -1.113947 1.371974 -0.642376
C -2.083901 -2.661423 1.433071
C -3.532126 1.935114 -0.469012
H 3.073344 0.606701 -1.746953
H 1.189224 -0.828340 -1.962134
H 3.165290 -2.267774 -1.718188
H 2.004728 -3.006843 -0.578551
H 3.044084 -1.860782 1.347353
H 4.481263 -2.263211 0.347494
H 4.995686 1.043930 1.377542
H 3.780324 0.081600 2.261373
H 2.838517 2.582680 1.820549
H -1.137033 -0.711253 1.689629
H 1.281792 3.517282 -0.172279
H 1.001751 2.432537 -1.597234
H -3.597386 -2.093643 -0.855588
H -4.339547 -0.516713 -1.218924
H -2.700356 -0.909808 -1.846836
H -2.363176 -3.348043 0.616093
H -1.287222 -3.146510 2.025587
H -2.963082 -2.498271 2.075979
H -4.473206 1.705707 0.057012
H -3.311802 3.010133 -0.352419
H -3.644659 1.707676 -1.541423
H -3.560517 0.142224 2.033308
H -1.339654 1.979651 1.659354


