%chk=000036072.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036072

0 1
 O   0.8516000      -2.595200     -8.3300002E-02
 O    4.508800     -0.4760000     -0.4188000    
 O    3.234200      -1.936200      -1.599600    
 O   -1.370200       2.817600       1.587800    
 N  -0.1475000     -0.4999000     -0.4148000    
 N   -2.408700      0.9018000      0.9152000    
 C    2.242600     -0.7188000      0.2596000    
 C    2.606800      -1.116000       1.691000    
 C    1.568000     -0.7383000       2.755900    
 C   0.9263000      -1.363100     -0.1261000    
 C   -1.495000     -0.9824000     -0.4247000    
 C   1.4800000E-02  0.8032000     -0.9599000    
 C    1.304400      0.7598000       2.926200    
 C   -2.548100     -0.3066000      0.2097000    
 C  -0.6183000       1.927000     -0.4258000    
 C    3.347000      -1.125600     -0.6891000    
 C   -1.769000      -2.223800      -1.035400    
 C   0.8299000      0.9673000      -2.096700    
 C   -1.459800       1.889600      0.7834000    
 C   0.3005000       1.080700       4.022200    
 C   -3.821500     -0.9021000      0.2677000    
 C  -0.4106000       3.192300      -1.003200    
 C   -3.045000      -2.787100      -1.002900    
 C    1.024500       2.222800      -2.672600    
 C   -4.071800      -2.128600     -0.3430000    
 C   0.4058000       3.337500      -2.122700    
 H    2.181000      0.3711000      0.2111000    
 H    3.564700     -0.6588000       1.970900    
 H    2.771800      -2.200800       1.743700    
 H   0.6206000      -1.250100       2.549000    
 H    1.918000      -1.136800       3.717000    
 H    2.250400       1.262800       3.160300    
 H   0.9511000       1.188100       1.987200    
 H  -0.9993000      -2.762600      -1.582900    
 H    1.313600      0.1080000      -2.556000    
 H   -3.142000       1.100500       1.592200    
 H   0.6474000      0.7072000       4.990700    
 H  -0.6708000      0.6247000       3.806300    
 H   0.1598000       2.162800       4.105100    
 H   -4.639300     -0.4047000      0.7859000    
 H  -0.8876000       4.079200     -0.5921000    
 H   -3.231300      -3.739700      -1.489600    
 H    1.656900       2.326500      -3.549200    
 H   -5.064700      -2.565900     -0.3017000    
 H   0.5549000       4.318200      -2.564400    
 H    5.225800     -0.7381000      -1.034800    


%chk=000036072-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036072

0 1
O 0.543547 -2.683862 0.300696
O 4.411300 -1.430510 -0.161354
O 2.866549 -1.510023 -1.877550
O -1.835174 2.460311 1.826167
N -0.271259 -0.640192 -0.472632
N -2.505495 0.426912 0.982325
C 2.110048 -0.813617 0.374237
C 2.495900 -1.128638 1.846835
C 1.616758 -0.380478 2.878536
C 0.744192 -1.464383 0.048544
C -1.596937 -1.190208 -0.670554
C -0.086515 0.729160 -0.903410
C 1.882993 1.142473 2.958037
C -2.683706 -0.640092 0.056660
C -0.782169 1.777809 -0.242446
C 3.118414 -1.294310 -0.668093
C -1.802668 -2.276220 -1.546559
C 0.771135 1.014125 -1.992827
C -1.707938 1.575480 0.921456
C 1.034077 1.842963 4.041337
C -3.974944 -1.209365 -0.093349
C -0.567441 3.116047 -0.662840
C -3.087208 -2.840027 -1.688957
C 0.962331 2.348884 -2.407440
C -4.173147 -2.305915 -0.955251
C 0.294789 3.403637 -1.739147
H 2.053982 0.284744 0.243993
H 3.556537 -0.860380 1.997281
H 2.405350 -2.220483 1.990501
H 0.541808 -0.561381 2.670878
H 1.809875 -0.821825 3.876836
H 2.961311 1.304451 3.163307
H 1.675405 1.623568 1.980147
H -0.943932 -2.691396 -2.081445
H 1.283596 0.184989 -2.492413
H -3.165471 0.461047 1.767416
H 1.198001 1.379401 5.033000
H -0.043216 1.781237 3.803008
H 1.291774 2.914905 4.120646
H -4.818617 -0.782822 0.462051
H -1.081331 3.913043 -0.116460
H -3.238444 -3.692878 -2.357875
H 1.629486 2.563265 -3.249190
H -5.173821 -2.738492 -1.059077
H 0.445274 4.440362 -2.057398
H 5.015697 -1.719818 -0.898827


