%chk=000058727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058727

0 1
 O   -1.756700       1.376800     -0.1714000    
 O    2.894300     -0.9594000      5.0900001E-02
 N   -6.224200       2.511600      0.4114000    
 N   -2.130600      -3.147000     -0.1008000    
 C   -4.016900      0.7120000     -0.2458000    
 C   -4.275800       2.004300      -1.021500    
 C   -4.595800      0.8122000       1.166200    
 C   -5.750400       2.398400     -0.9680000    
 C   -6.058100       1.252300       1.137200    
 C   -2.545900      0.4305000     -0.1845000    
 C   -2.073600     -0.9619000     -0.1403000    
 C  -0.7438000      -1.399700     -8.1100002E-02
 C  -0.8004000      -2.794700     -5.6600001E-02
 C   -2.914600      -2.025800     -0.1522000    
 C   0.5169000     -0.7713000     -4.4700000E-02
 C   0.3452000      -3.596300      2.4000001E-03
 C    1.671500      -1.560300      1.4400000E-02
 C    1.584600      -2.950900      3.7500001E-02
 C    2.916100      0.4662000      2.4599999E-02
 C    4.341600      0.9345000      3.9600000E-02
 C    4.975600       1.171500       1.254200    
 C    5.015900       1.126800      -1.161100    
 C    6.300700       1.606600       1.268300    
 C    6.341200       1.561900      -1.146800    
 C    6.983500       1.801800      6.8000004E-02
 H   -4.529900     -8.3300002E-02 -0.7980000    
 H   -3.963900       1.884600      -2.066400    
 H   -3.680000       2.832000     -0.6136000    
 H   -4.010300       1.524500       1.763200    
 H   -4.517900     -0.1534000       1.679900    
 H   -5.889800       3.361400      -1.471500    
 H   -6.360900       1.668500      -1.513400    
 H   -6.681900      0.4739000      0.6813000    
 H   -6.420300       1.383400       2.162800    
 H   -5.689400       3.239500      0.8859000    
 H   -3.989700      -2.130300     -0.1847000    
 H   -2.477300      -4.096400     -9.4400004E-02
 H   0.5301000      0.3100000     -6.1900001E-02
 H   0.2785000      -4.678900      2.0500001E-02
 H    2.491000      -3.550000      8.3800003E-02
 H    2.402700      0.8806000      0.9026000    
 H    2.439600      0.8495000     -0.8876000    
 H    4.454500       1.020400       2.195500    
 H    4.526600      0.9406000      -2.113200    
 H    6.801100       1.792700       2.214100    
 H    6.873200       1.713200      -2.081500    
 H    8.015500       2.140200      7.9000004E-02


%chk=000058727-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058727

0 1
O -1.818017 1.381080 -0.268808
O 2.935422 -0.892925 -0.052096
N -6.444230 2.528120 0.403553
N -2.120136 -3.261731 -0.153285
C -4.155060 0.699932 -0.201548
C -4.541033 1.863081 -1.153035
C -4.558752 1.054344 1.264917
C -6.040175 2.231021 -0.994809
C -6.060749 1.442443 1.338373
C -2.646120 0.408730 -0.248247
C -2.172066 -0.979981 -0.213403
C -0.776066 -1.411277 -0.162011
C -0.774306 -2.842226 -0.123821
C -2.952606 -2.155209 -0.206295
C 0.450948 -0.700609 -0.143339
C 0.420203 -3.593475 -0.067223
C 1.644564 -1.452701 -0.082829
C 1.630572 -2.882205 -0.046613
C 3.020926 0.590516 -0.070358
C 4.479041 0.970354 0.033066
C 5.119223 1.008342 1.297418
C 5.228657 1.283936 -1.127262
C 6.485466 1.349895 1.400516
C 6.595745 1.628674 -1.028546
C 7.226758 1.662083 0.236428
H -4.723171 -0.204161 -0.502122
H -4.330589 1.578102 -2.203108
H -3.900075 2.734321 -0.919973
H -3.935154 1.905270 1.603735
H -4.349964 0.200140 1.939494
H -6.290135 3.104700 -1.624487
H -6.665942 1.385984 -1.349225
H -6.680437 0.554836 1.095198
H -6.325739 1.752130 2.366366
H -6.062084 3.433875 0.713713
H -4.034000 -2.271441 -0.236348
H -2.431296 -4.231342 -0.141159
H 0.424468 0.389734 -0.178772
H 0.418637 -4.688278 -0.039198
H 2.592051 -3.402159 -0.001624
H 2.438674 0.990098 0.784511
H 2.569907 0.965982 -1.010561
H 4.545058 0.763424 2.199019
H 4.741095 1.253402 -2.109171
H 6.970524 1.376171 2.382638
H 7.165543 1.870760 -1.932550
H 8.286222 1.931044 0.315179


