%chk=000037433.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037433

0 1
 O   -3.057500     -0.3005000       1.246600    
 O   -2.105800      -3.385800     -0.6773000    
 N   -1.060500     -0.8222000      0.1333000    
 C    1.370100      0.7218000      0.8872000    
 C    3.052500       1.250200     -0.4763000    
 C    1.326600     -0.4178000     -0.1623000    
 C    2.428600      1.2400000E-02  -1.165800    
 C    1.794800       1.938600      6.1400000E-02
 C    2.613700      0.5123000       1.772000    
 C    3.770900      0.8817000      0.8330000    
 C  -3.9400000E-02 -0.5420000     -0.8305000    
 C    3.404100      -1.105000      -1.504900    
 C  -0.8954000      -2.057800      0.9133000    
 C   -2.197900     -2.3700001E-02  0.4059000    
 C  -0.8700000      -3.283200      1.7999999E-02
 C   -2.311700       1.248100     -0.4246000    
 C   -3.558600       2.063300     -8.2500003E-02
 C   -3.664400       3.309600     -0.9467000    
 H   0.4610000      0.8557000       1.475800    
 H    3.659300       1.860800      -1.148800    
 H    1.604100      -1.372300      0.2983000    
 H    1.971500      0.3459000      -2.107800    
 H    1.080900       2.212400     -0.7213000    
 H    2.014200       2.819900      0.6740000    
 H    2.597400       1.190000       2.633200    
 H    2.697500     -0.5119000       2.148600    
 H    4.495400      7.1000002E-02  0.7246000    
 H    4.307500       1.750800       1.231900    
 H  -2.6100000E-02  -1.333000      -1.587200    
 H  -0.2600000      0.3706000      -1.387200    
 H    2.894800      -1.889700      -2.074700    
 H    4.228800     -0.7251000      -2.116200    
 H    3.827400      -1.576000     -0.6129000    
 H   9.2000002E-03  -1.990100       1.523700    
 H   -1.728900      -2.160500       1.616500    
 H  -0.7620000      -4.183700      0.6312000    
 H  -4.9500000E-02  -3.284700     -0.7043000    
 H   -2.349700      0.9681000      -1.483400    
 H   -1.424000       1.864400     -0.2465000    
 H   -3.535500       2.355800      0.9740000    
 H   -4.457200       1.450700     -0.2232000    
 H   -2.202200      -2.585300      -1.220800    
 H   -4.562100       3.878000     -0.6839000    
 H   -3.727000       3.047200      -2.007600    
 H   -2.796000       3.960500     -0.8039000    


%chk=000037433-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037433

0 1
O -3.089757 -0.813128 0.610150
O -3.133971 -3.509443 0.560339
N -0.950258 -1.074670 -0.239524
C 1.334894 0.945862 0.794906
C 3.191377 1.438917 -0.438236
C 1.478844 -0.298602 -0.136715
C 2.723674 0.070671 -1.041086
C 1.817896 2.105529 -0.129067
C 2.483745 0.897072 1.846650
C 3.763867 1.238582 0.996445
C 0.231042 -0.606794 -1.004440
C 3.788454 -1.037366 -1.140974
C -0.870795 -2.448296 0.340379
C -2.091234 -0.321684 -0.027028
C -1.904220 -3.467577 -0.214519
C -2.161401 1.105609 -0.588590
C -3.400239 1.877291 -0.087262
C -3.477634 3.293202 -0.695820
H 0.334716 1.051918 1.247587
H 3.863353 1.999100 -1.110817
H 1.711338 -1.195312 0.472891
H 2.358776 0.282554 -2.070128
H 1.194085 2.253632 -1.030403
H 1.908740 3.070674 0.400821
H 2.319584 1.647781 2.641031
H 2.548457 -0.092418 2.335399
H 4.530306 0.445840 1.039858
H 4.240762 2.170583 1.350247
H 0.497385 -1.393635 -1.740155
H -0.046102 0.285409 -1.588971
H 3.372494 -1.944817 -1.618511
H 4.653979 -0.709972 -1.747067
H 4.166155 -1.333468 -0.145162
H 0.153288 -2.809177 0.139170
H -1.005672 -2.397351 1.438126
H -1.475954 -4.484183 -0.145254
H -2.092540 -3.243081 -1.289212
H -2.190385 1.049214 -1.697504
H -1.244357 1.669432 -0.332174
H -3.368293 1.936713 1.016527
H -4.309653 1.299915 -0.330326
H -3.387627 -2.548056 0.720840
H -4.366100 3.834851 -0.324063
H -3.546865 3.253139 -1.799827
H -2.585255 3.895037 -0.436633


