%chk=000177305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177305

0 1
 O   -4.708000      0.1679000       1.802700    
 O   0.1987000     -8.3300002E-02  0.8793000    
 O   -3.068800       3.456100     -0.8190000    
 O   -4.827300       2.459200      0.2243000    
 O   -4.809900      -3.095400      0.3693000    
 O   -7.048300      -3.146200      2.4999999E-03
 O    2.355800       1.635700      -1.309900    
 N   -1.760900      8.1900001E-02 -0.3595000    
 N   -4.491500     -0.6047000     -0.3682000    
 N    1.747900     -0.5869000      -1.031000    
 N    8.255300      -1.775100       1.552000    
 N    8.989000      5.0099999E-02  0.2905000    
 C   -2.559300      0.4788000      0.8015000    
 C   -2.546800       2.000500      0.9649000    
 C   -2.478200      2.5699999E-02  -1.627900    
 C   -3.623100     -0.9503000      -1.486300    
 C   -4.011500     -1.9200001E-02  0.7996000    
 C  -0.3896000     -0.1357000     -0.2043000    
 C   -2.743700       2.389700       2.423600    
 C   -5.859600      -1.099100     -0.4345000    
 C   -3.623000       2.635600      0.1105000    
 C   0.3925000     -0.4541000      -1.453500    
 C   -5.984700      -2.538500     -6.2000002E-03
 C    2.641900      0.4848000     -0.9903000    
 C    4.027400      0.1766000     -0.5514000    
 C    4.265600     -0.9033000      0.2990000    
 C    5.089700      0.9674000     -0.9891000    
 C    5.566300      -1.192200      0.7114000    
 C    6.390400      0.6784000     -0.5766000    
 C    6.628800     -0.4014000      0.2736000    
 C    7.984800     -0.7030000      0.7033000    
 H   -2.088200      1.3400000E-02   1.677300    
 H   -1.569900       2.397700      0.6582000    
 H   -2.836300       1.028600      -1.874100    
 H   -1.834700     -0.2922000      -2.450100    
 H   -4.209300     -0.9562000      -2.411600    
 H   -3.239100      -1.961900      -1.315300    
 H   -3.743200       2.157600       2.801400    
 H   -2.615400       3.472400       2.540500    
 H   -2.006700       1.901000       3.069400    
 H   -6.230700     -0.9915000      -1.458200    
 H   -6.487100     -0.5027000      0.2359000    
 H   6.7199998E-02  -1.408400      -1.875500    
 H   0.3014000      0.3551000      -2.182900    
 H    2.063800      -1.523700     -0.8037000    
 H   -3.749400       3.880700      -1.383700    
 H   -4.917600      -4.031000      0.6434000    
 H    3.463200      -1.523800      0.6868000    
 H    4.924700       1.810100      -1.655200    
 H    5.695300      -2.037800       1.377800    
 H    7.194900       1.313600     -0.9371000    
 H    9.208300      -1.968200       1.842200    
 H    7.547100      -2.401300       1.914000    
 H    9.856000     -0.3173000      0.6982000    


%chk=000177305-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177305

0 1
O -5.156007 0.222989 1.489157
O -0.108547 0.094146 1.162437
O -3.484846 4.109290 1.447883
O -3.940009 2.766542 -0.375981
O -4.968622 -3.284462 -0.281230
O -7.100173 -3.234497 -1.209107
O 2.636701 -0.406234 -2.819355
N -1.906311 0.267943 -0.293385
N -4.582661 -0.604761 -0.601871
N 1.745356 -0.186394 -0.701342
N 8.560299 -0.027792 1.737289
N 9.118420 -1.433197 -0.155342
C -2.810847 0.419883 0.879508
C -2.684017 1.827564 1.552650
C -2.519253 0.260740 -1.636881
C -3.602620 -0.825852 -1.684336
C -4.273970 0.021704 0.596796
C -0.562056 0.100174 -0.033548
C -3.035810 1.811227 3.062522
C -5.943809 -1.106725 -0.785677
C -3.439112 2.891507 0.768381
C 0.391651 -0.072383 -1.225673
C -6.089595 -2.626713 -0.800483
C 2.816265 -0.340035 -1.557019
C 4.188314 -0.427734 -0.940656
C 4.459227 -0.167148 0.427274
C 5.264486 -0.786433 -1.794105
C 5.775645 -0.257999 0.925330
C 6.575255 -0.881626 -1.297133
C 6.850769 -0.611897 0.068683
C 8.268296 -0.714551 0.552799
H -2.446558 -0.293775 1.645696
H -1.609865 2.095368 1.481842
H -2.972341 1.248120 -1.832947
H -1.756720 0.053543 -2.401776
H -4.133741 -0.768058 -2.653408
H -3.156762 -1.835672 -1.594836
H -4.080720 1.501890 3.215508
H -2.880337 2.809814 3.501292
H -2.372222 1.094693 3.578654
H -6.390173 -0.722839 -1.721326
H -6.548091 -0.721023 0.058875
H 0.129139 -0.971819 -1.819925
H 0.320028 0.786395 -1.923173
H 1.814295 -0.177396 0.321941
H -3.965048 4.778299 0.887826
H -5.143820 -4.264849 -0.266176
H 3.660132 0.118551 1.121017
H 5.038223 -0.978824 -2.847692
H 5.945245 -0.090463 1.995289
H 7.413692 -1.170480 -1.937467
H 9.491692 -0.086329 2.143543
H 7.910499 0.645499 2.136725
H 10.085237 -1.433720 0.230934


