%chk=000171191.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171191

0 1
 O    1.040300      -2.726100     -0.2604000    
 O   -1.040300       2.726600     -0.2610000    
 N    1.608700     -0.4842000     -0.4550000    
 N   -1.609300      0.4847000     -0.4543000    
 C  -0.3187000      -1.177200      0.9422000    
 C   0.3192000       1.178200      0.9415000    
 C    1.552100      0.8905000      6.9700003E-02
 C   -1.552000     -0.8899000      7.0400000E-02
 C   3.0000001E-04  6.9999998E-04   1.839200    
 C   0.8573000      -1.544400      4.3600000E-02
 C  -0.8574000       1.545000      4.3400001E-02
 C    2.861100       1.180900      0.8302000    
 C   -2.860800      -1.180900      0.8309000    
 C    2.720700     -0.7419000      -1.369700    
 C   -2.721200      0.7418000      -1.369000    
 C    4.083800      0.9221000     -5.6800000E-02
 C   -4.083200     -0.9240000     -5.6899998E-02
 C    4.048900     -0.4816000     -0.6637000    
 C   -4.049600      0.4797000     -0.6643000    
 H  -0.5033000      -2.057300       1.572200    
 H   0.5039000       2.058600       1.571200    
 H    1.523200       1.549900     -0.8093000    
 H   -1.522800      -1.549300     -0.8085000    
 H  -0.8491000      0.2332000       2.491700    
 H   0.8499000     -0.2316000       2.491600    
 H    2.933100      0.5449000       1.720900    
 H    2.877700       2.222200       1.172400    
 H   -2.933700     -0.5443000       1.721100    
 H   -2.876500      -2.221900       1.173800    
 H    2.604300     -7.6800004E-02  -2.233200    
 H    2.689800      -1.771800      -1.738900    
 H   -2.603700      7.7399999E-02  -2.232900    
 H   -2.691200       1.772000      -1.737700    
 H    5.000800       1.050500      0.5291000    
 H    4.110900       1.665800     -0.8628000    
 H   -5.000200      -1.053400      0.5284000    
 H   -4.108900      -1.668000     -0.8627000    
 H    4.878100     -0.6042000      -1.368900    
 H    4.188500      -1.220300      0.1354000    
 H   -4.878500      0.6010000      -1.370100    
 H   -4.191000       1.218300      0.1346000    


%chk=000171191-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000171191

0 1
O 0.927595 -2.678193 -0.624626
O -0.927684 2.677802 -0.625359
N 1.702727 -0.484715 -0.452763
N -1.702668 0.484318 -0.452912
C -0.328649 -1.185805 0.839124
C 0.328726 1.185857 0.838695
C 1.638129 0.917404 0.049120
C -1.638035 -0.917642 0.049408
C 0.000018 0.000197 1.761785
C 0.821315 -1.505797 -0.134916
C -0.821163 1.505469 -0.135553
C 2.920839 1.231544 0.864127
C -2.920742 -1.231591 0.864497
C 2.875086 -0.772698 -1.312622
C -2.875070 0.772034 -1.312806
C 4.191349 0.946142 0.026788
C -4.191273 -0.946425 0.027115
C 4.181547 -0.495118 -0.536313
C -4.181499 0.494686 -0.536366
H -0.484418 -2.117374 1.410790
H 0.484465 2.117644 1.410019
H 1.637449 1.584514 -0.839667
H -1.637319 -1.585022 -0.839176
H -0.856237 0.239382 2.418566
H 0.856238 -0.238757 2.418695
H 2.934181 0.616964 1.786061
H 2.897093 2.294562 1.170891
H -2.934082 -0.616783 1.786278
H -2.896976 -2.294530 1.171529
H 2.824005 -0.127153 -2.213430
H 2.798356 -1.825034 -1.629610
H -2.824026 0.126203 -2.213415
H -2.798346 1.824265 -1.630141
H 5.096873 1.114894 0.639179
H 4.237120 1.665769 -0.816848
H -5.096777 -1.115032 0.639572
H -4.237056 -1.666269 -0.816336
H 5.047277 -0.653000 -1.207211
H 4.268364 -1.225636 0.291369
H -5.047260 0.652390 -1.207265
H -4.268275 1.225430 0.291122


