%chk=000091360.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091360

0 1
 O    4.952200     -0.9029000      0.4564000    
 O   -3.261700      -3.822000      0.4570000    
 O   -1.694200       4.725100      0.4649000    
 N    1.403400      6.3500002E-02  6.6900000E-02
 N  -0.6336000      -1.250700      5.5399999E-02
 N  -0.7537000       1.170400      6.6600002E-02
 C   0.7597000      -1.178600      0.5322000    
 C   0.6403000       1.231900      0.5428000    
 C   -1.387400     -7.6800004E-02  0.5323000    
 C    2.790200      0.1301000      0.5259000    
 C   -1.269400      -2.489900      0.5013000    
 C   -1.508200       2.336000      0.5251000    
 C    3.618600      -1.020700     -3.5100002E-02
 C   -2.698100      -2.601900     -1.9700000E-02
 C  -0.9217000       3.631200     -2.5699999E-02
 C    3.653600     -0.9819000      -1.556700    
 C   -2.728700      -2.611700      -1.541900    
 C  -0.9614000       3.649000      -1.547600    
 H   0.8059000      -1.260400       1.627400    
 H    1.263900      -2.049200      0.1048000    
 H    1.144700       2.105900      0.1228000    
 H   0.6799000       1.308100       1.638600    
 H   -2.392400     -7.1199998E-02  0.1031000    
 H   -1.481900     -8.6199999E-02   1.627300    
 H    2.847700      0.1252000       1.623100    
 H    3.248200       1.077700      0.2112000    
 H   -1.276400      -2.564800       1.597500    
 H  -0.6925000      -3.355900      0.1494000    
 H   -1.541200       2.387200       1.622200    
 H   -2.555300       2.257100      0.2025000    
 H    3.272500      -2.000900      0.3022000    
 H   -3.354600      -1.819600      0.3676000    
 H   9.4300002E-02   3.820800      0.3275000    
 H    2.668300      -1.151600      -2.000100    
 H    4.042600     -2.3100000E-02  -1.917300    
 H    4.334000      -1.752300      -1.936800    
 H   -2.394700      -1.662500      -1.970800    
 H   -2.105500      -3.417800      -1.945400    
 H   -3.747800      -2.803800      -1.896100    
 H  -0.3102000       2.888600      -1.988300    
 H   -1.981100       3.496900      -1.919300    
 H  -0.6405000       4.628000      -1.920800    
 H    4.913400     -0.9527000       1.426800    
 H   -2.727100      -4.556400      0.1097000    
 H   -2.606400       4.616500      0.1457000    


%chk=000091360-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091360

0 1
O 5.030378 -1.135233 0.146271
O -3.592563 -3.710384 0.209348
O -1.401495 4.953140 0.195459
N 1.391521 -0.080858 0.366993
N -0.771593 -1.179827 0.357070
N -0.641190 1.241370 0.353134
C 0.623589 -1.254879 0.831736
C 0.755650 1.168410 0.830491
C -1.406897 0.070965 0.824658
C 2.829234 -0.163536 0.700948
C -1.566614 -2.384656 0.688102
C -1.286636 2.534909 0.678364
C 3.627676 -1.026182 -0.310375
C -2.731586 -2.623340 -0.307514
C -0.903736 3.658123 -0.319773
C 3.673688 -0.403435 -1.704201
C -2.242982 -2.901918 -1.734784
C -1.397148 3.375156 -1.744418
H 0.661719 -1.313398 1.968022
H 1.083145 -2.173721 0.430139
H 1.325131 2.022368 0.428609
H 0.778541 1.237803 1.965421
H -2.431159 0.133008 0.420943
H -1.480432 0.063855 1.959513
H 2.996649 -0.565388 1.736546
H 3.261531 0.854415 0.682196
H -1.996124 -2.350275 1.718857
H -0.891272 -3.263691 0.648961
H -1.044202 2.891830 1.708840
H -2.385636 2.392180 0.635595
H 3.176180 -2.041275 -0.369320
H -3.408415 -1.750763 -0.305911
H 0.191531 3.798050 -0.322403
H 2.645056 -0.221570 -2.059082
H 4.218359 0.557438 -1.667992
H 4.196203 -1.069583 -2.411500
H -1.599039 -2.072820 -2.075751
H -1.641995 -3.833380 -1.770313
H -3.096134 -3.012216 -2.426182
H -1.013892 2.396759 -2.082723
H -2.505094 3.334250 -1.775527
H -1.058670 4.162096 -2.440211
H 5.046735 -1.548163 1.048167
H -3.128778 -4.574016 0.059363
H -2.381535 4.992083 0.048835


