%chk=000057722.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057722

0 1
 O    3.232200     -0.9384000      -1.185000    
 O    3.350500     -0.8322000       1.220300    
 O  -0.7113000      -1.176900      0.1997000    
 N   -5.390400      6.4000003E-02  0.3733000    
 C    3.007700      -1.636500      6.4700000E-02
 C    1.526300      -2.001600      0.1538000    
 C   0.6453000     -0.7677000      9.5100001E-02
 C   -4.032000      0.5759000      0.2389000    
 C   -3.028300     -0.5723000      0.2682000    
 C    3.876000      -2.893800      7.7399999E-02
 C   -1.596900     -6.6200003E-02  0.1516000    
 C    3.702900      0.2607000     -0.7428000    
 C    3.770400      0.3212000      0.6303000    
 C   -5.876200     -0.4519000     -0.9078000    
 C   -6.287700       1.107400      0.8731000    
 C    4.081700       1.323700      -1.536100    
 C    4.220300       1.448400       1.286200    
 C   -7.266200      -1.049100     -0.7676000    
 C   -6.376800       2.268500     -0.1027000    
 C    4.541700       2.477400     -0.8969000    
 C    4.610600       2.539400      0.5061000    
 H    1.244900      -2.670800     -0.6694000    
 H    1.317800      -2.542200       1.085800    
 H   0.8711000     -8.6599998E-02  0.9228000    
 H   0.7797000     -0.2356000     -0.8531000    
 H   -3.892900       1.162900     -0.6779000    
 H   -3.787300       1.236600       1.081300    
 H   -3.202200      -1.287300     -0.5439000    
 H   -3.132100      -1.146900       1.198100    
 H    3.654900      -3.539200     -0.7791000    
 H    3.739700      -3.462100       1.003500    
 H    4.937400      -2.626900      1.5300000E-02
 H   -1.463900      0.4686000     -0.7963000    
 H   -1.371500      0.6176000      0.9784000    
 H   -5.229300      -1.274700      -1.233200    
 H   -5.851700      0.2794000      -1.723400    
 H   -5.912700       1.476400       1.836700    
 H   -7.284800      0.7178000       1.103500    
 H    4.026600       1.271900      -2.617500    
 H    4.271600       1.492100       2.368100    
 H   -7.506600      -1.631200      -1.664500    
 H   -8.044600     -0.2862000     -0.6719000    
 H   -7.330300      -1.730300      8.7899998E-02
 H   -5.409900       2.726300     -0.3297000    
 H   -6.878200       2.010100      -1.039500    
 H   -6.985000       3.059300      0.3531000    
 H    4.849200       3.336000      -1.487700    
 H    4.970800       3.445200      0.9863000    


%chk=000057722-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057722

0 1
O 3.292832 -0.714747 -1.221801
O 3.344437 -0.774316 1.183520
O -0.797516 -1.012576 0.083092
N -5.606070 0.142581 0.327562
C 2.953495 -1.589852 -0.031944
C 1.448015 -1.844782 -0.003554
C 0.600503 -0.568278 0.020088
C -4.231653 0.640152 0.068532
C -3.156158 -0.464223 0.184146
C 3.826270 -2.840627 -0.081955
C -1.740498 0.112880 0.081184
C 4.057317 0.360337 -0.714697
C 4.088323 0.324669 0.698134
C -6.129561 -0.705756 -0.773816
C -6.534053 1.204219 0.795975
C 4.694965 1.369024 -1.442036
C 4.758624 1.295602 1.447087
C -7.448136 -1.420330 -0.423709
C -6.906087 2.311591 -0.230594
C 5.384896 2.364416 -0.693234
C 5.416216 2.328415 0.720264
H 1.174791 -2.445762 -0.890010
H 1.212291 -2.449643 0.891065
H 0.848351 0.051225 0.907978
H 0.774062 0.035344 -0.895793
H -4.140124 1.132943 -0.934669
H -4.015771 1.421637 0.824668
H -3.272812 -1.220888 -0.613785
H -3.278464 -0.985365 1.150390
H 3.604326 -3.420951 -0.993672
H 3.633418 -3.472161 0.801870
H 4.892639 -2.559333 -0.091322
H -1.619071 0.702949 -0.856832
H -1.524147 0.789381 0.939620
H -5.365346 -1.475092 -0.986469
H -6.262219 -0.124422 -1.723277
H -6.068507 1.675538 1.683349
H -7.459677 0.719103 1.156433
H 4.662319 1.388624 -2.534631
H 4.773753 1.259459 2.539632
H -7.706544 -2.144712 -1.217781
H -8.295317 -0.717549 -0.328290
H -7.342725 -1.968892 0.529216
H -6.009780 2.853170 -0.584407
H -7.423136 1.892343 -1.113232
H -7.584414 3.049466 0.237180
H 5.900529 3.169549 -1.226880
H 5.955914 3.105839 1.270906


