%chk=000107644.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107644

0 1
 O   -2.320900      -3.006800     -4.3800000E-02
 O  -0.1271000      -3.922600      0.1880000    
 O   -2.493100      -1.714200      -2.925700    
 O    1.090900      0.1727000      -1.786700    
 O    3.567100      -1.530500       2.059400    
 O    1.640500       2.174500      -2.767800    
 O    3.944800       3.551900      -1.437300    
 O   -3.653000      0.9735000      -1.713100    
 N   -2.565500     -0.7010000      0.5479000    
 N   -2.125300      0.1465000       2.571600    
 N   -2.811600       2.407600       2.017200    
 N   -3.597900       2.750700     -0.2462000    
 N   -3.501700       4.489800       1.321900    
 C  -0.6059000      -2.336300      -1.592500    
 C   -1.782100      -1.397700      -1.727200    
 C   -1.150500      -3.481800     -0.7334000    
 C   -2.674000      -1.699800     -0.5249000    
 C   0.5177000      -1.903400     -0.7246000    
 C   0.7507000      -2.869900      0.2405000    
 C    1.329100     -0.7848000     -0.7772000    
 C    2.366200     -0.6203000      0.1511000    
 C    1.771600      -2.756500       1.166200    
 C    3.173800      0.5864000      5.2099999E-02
 C    2.580500      -1.616400       1.121300    
 C   -2.886600      0.6262000      0.4843000    
 C    4.309200      0.9373000      0.9565000    
 C    2.911600       1.476600     -0.9057000    
 C   -2.112500     -0.9394000       1.823900    
 C    4.804100       2.284900      0.4340000    
 C    1.849500       1.336700      -1.899900    
 C   -2.604900       1.109900       1.736300    
 C    3.890000       2.559100     -0.7277000    
 C   -3.404500       1.417100     -0.5981000    
 C   -3.314400       3.175100      0.9683000    
 C    3.234300     -0.8952000       3.291300    
 H  -0.2099000      -2.706200      -2.544800    
 H   -1.482900     -0.3499000      -1.806000    
 H   -1.456900      -4.334700      -1.349400    
 H   -3.737200      -1.725600     -0.7915000    
 H    1.931200      -3.527600       1.913000    
 H   -1.894600      -1.542600      -3.672800    
 H    3.989400       1.090100       1.987100    
 H    5.116000      0.1985000      0.9236000    
 H   -1.787300      -1.914500       2.160100    
 H    5.839800       2.223100      8.7700002E-02
 H    4.701600       3.072700       1.185900    
 H   -2.623500       2.825500       2.922300    
 H    2.825300      -1.643200       3.977900    
 H    2.499600     -9.2799999E-02   3.163800    
 H    4.147300     -0.4878000       3.734300    
 H   -3.862500       5.165100      0.6568000    
 H   -3.285100       4.823200       2.254800    


%chk=000107644-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000107644

0 1
O -2.453061 -2.959146 -0.336954
O -0.292296 -3.285543 0.711889
O -2.025227 -0.912996 -2.937488
O 1.683702 -0.007664 -2.035587
O 3.673435 -0.875328 2.334197
O 2.553381 1.532062 -3.535449
O 5.106594 2.986095 -2.437760
O -3.702509 1.113708 -1.821264
N -2.973664 -0.777565 0.554985
N -3.130352 -0.091082 2.727395
N -3.982091 2.193904 2.194675
N -4.263974 2.695978 -0.163599
N -4.806040 4.289490 1.449859
C -0.461346 -2.073316 -1.441206
C -1.601920 -1.015132 -1.561315
C -1.064712 -3.241153 -0.597042
C -2.767237 -1.575528 -0.676160
C 0.717067 -1.634084 -0.598669
C 0.729672 -2.337011 0.619056
C 1.718961 -0.678586 -0.824172
C 2.733564 -0.418303 0.168740
C 1.677705 -2.133896 1.639526
C 3.723546 0.572790 -0.162663
C 2.676661 -1.167539 1.402602
C -3.445706 0.544583 0.518170
C 4.895730 1.040841 0.690208
C 3.700047 1.248107 -1.388904
C -2.799864 -1.115530 1.887754
C 5.618419 2.109101 -0.163871
C 2.702454 1.025169 -2.420853
C -3.529479 0.918710 1.868056
C 4.826348 2.216496 -1.484920
C -3.800856 1.431962 -0.585548
C -4.342107 3.031880 1.128729
C 3.662410 -1.605431 3.609786
H -0.188733 -2.380881 -2.463369
H -1.271528 -0.034676 -1.170374
H -1.004321 -4.260665 -1.001015
H -3.709195 -1.581525 -1.247271
H 1.622682 -2.716685 2.559683
H -2.662749 -0.140965 -2.965414
H 4.530626 1.433683 1.655338
H 5.542858 0.184617 0.949643
H -2.447081 -2.094435 2.198370
H 6.664496 1.838987 -0.393615
H 5.644452 3.101156 0.320990
H -4.044067 2.473960 3.175164
H 3.792387 -2.691238 3.445191
H 2.725367 -1.415854 4.165856
H 4.518865 -1.206943 4.171980
H -5.056083 4.889431 0.666910
H -4.904829 4.629193 2.402532


