%chk=000049094.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049094

0 1
 O   0.1049000       1.177000      0.5626000    
 O  -0.3517000       1.315800      -1.697800    
 O    6.241500     -0.6496000      0.3162000    
 N    3.517400     -9.9999998E-03 -0.2046000    
 C   -2.465600     -0.2853000      0.6169000    
 C   -4.019000     -0.3696000      0.4618000    
 C   -3.911900     -0.2490000      -1.080900    
 C   -2.135900       1.061600     -0.1003000    
 C   -1.983300      -1.457000     -0.2851000    
 C   -3.116100       1.061600      -1.290100    
 C   -2.964500      -1.405900      -1.468100    
 C   -1.922600     -0.3652000       2.032100    
 C   -4.668500      -1.683300      0.9445000    
 C   -4.820100      0.7674000       1.128600    
 C  -0.7070000       1.200600     -0.5326000    
 C    1.504900       1.300800      0.2929000    
 C    2.088500     -8.8600002E-02  9.1600001E-02
 C    4.249500      0.5990000      0.9145000    
 C    4.063500      -1.342500     -0.4979000    
 C    5.738800      0.6593000      0.5870000    
 C    5.557300      -1.237100     -0.7912000    
 H   -4.860100     -0.2673000      -1.623400    
 H   -2.349000       1.927200      0.5396000    
 H   -2.046300      -2.422000      0.2302000    
 H  -0.9466000      -1.353400     -0.6184000    
 H   -3.784500       1.928200      -1.231000    
 H   -2.649000       1.093700      -2.279200    
 H   -2.448000      -1.224700      -2.416500    
 H   -3.505800      -2.352800      -1.565300    
 H  -0.8369000     -0.4946000       2.050500    
 H   -2.170800      0.5331000       2.606800    
 H   -2.344300      -1.223400       2.565800    
 H   -4.653900      -1.744600       2.038500    
 H   -5.716400      -1.727400      0.6251000    
 H   -4.191700      -2.592300      0.5729000    
 H   -4.771800      0.6828000       2.220300    
 H   -4.482700       1.774600      0.8775000    
 H   -5.875400      0.7108000      0.8368000    
 H    1.692700       1.960500     -0.5632000    
 H    1.910900       1.796300       1.178300    
 H    1.886400     -0.7093000      0.9749000    
 H    1.564300     -0.5723000     -0.7423000    
 H    4.098700      1.8300001E-02   1.833700    
 H    3.937500       1.630000       1.100900    
 H    3.560500      -1.776900      -1.369400    
 H    3.906100      -2.014200      0.3561000    
 H    5.939200       1.313100     -0.2707000    
 H    6.293300       1.057100       1.443000    
 H    5.977300      -2.235500     -0.9499000    
 H    5.751500     -0.6480000      -1.695800    


%chk=000049094-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049094

0 1
O 0.175636 1.353545 0.207562
O -0.345301 0.442864 -1.874589
O 6.529480 -0.497831 0.470343
N 3.726688 0.064313 -0.029668
C -2.561733 -0.457616 0.548355
C -4.146146 -0.294601 0.526772
C -4.201410 -0.170117 -1.037427
C -2.137857 0.873814 -0.211846
C -2.353630 -1.654138 -0.438882
C -3.233088 1.015181 -1.327231
C -3.485833 -1.468789 -1.512675
C -1.897640 -0.636694 1.916273
C -4.900455 -1.524215 1.092128
C -4.684898 0.946569 1.280918
C -0.722433 0.850332 -0.748733
C 1.618350 1.355592 -0.171485
C 2.253913 -0.024669 0.085861
C 4.388010 0.502264 1.226691
C 4.366074 -1.172491 -0.548191
C 5.888682 0.726076 0.978087
C 5.866557 -0.923563 -0.774806
H -5.211164 -0.030226 -1.460867
H -2.184151 1.702597 0.516337
H -2.452991 -2.612497 0.102407
H -1.349300 -1.644076 -0.894795
H -3.738728 1.994301 -1.258228
H -2.787609 0.932357 -2.333267
H -3.074443 -1.350688 -2.530028
H -4.176980 -2.330335 -1.529891
H -0.801023 -0.739386 1.821253
H -2.087799 0.229809 2.576707
H -2.278564 -1.544803 2.419627
H -4.782799 -1.580239 2.190997
H -5.982935 -1.432126 0.881654
H -4.559823 -2.483183 0.669613
H -4.451032 0.880133 2.360665
H -4.283627 1.903158 0.908228
H -5.786198 0.994564 1.186167
H 1.720293 1.630120 -1.234695
H 2.060642 2.133891 0.469927
H 1.928260 -0.398186 1.087345
H 1.875659 -0.732776 -0.672372
H 4.260043 -0.259732 2.036793
H 3.931984 1.446899 1.577905
H 3.890471 -1.447044 -1.508192
H 4.243084 -2.030536 0.159351
H 6.024071 1.552288 0.247163
H 6.416481 0.967795 1.915490
H 6.382446 -1.848121 -1.082188
H 5.998063 -0.142784 -1.554660


