%chk=000002890.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002890

0 1
 O    2.691800      -1.201400      -1.293100    
 O   -1.599100       2.115900      -1.328700    
 O    3.888700      0.1263000      0.9687000    
 N   -2.439200      0.4565000      8.8200003E-02
 C   -4.183900      -1.814000      0.4561000    
 C   -4.502800     -0.7177000     -0.5609000    
 C   -2.679000      -1.911300      0.7074000    
 C   -3.880600      0.6133000     -0.1477000    
 C   -2.090300     -0.5546000       1.086600    
 C   -1.429200       1.210500     -0.5136000    
 C  -3.7200000E-02  0.9214000     -0.1468000    
 C   0.6938000     -1.8400000E-02 -0.8739000    
 C    2.019300     -0.2839000     -0.5290000    
 C   0.5543000       1.592000      0.9242000    
 C    2.602900      0.3677000      0.5605000    
 C    1.875400       1.317100       1.278400    
 C    4.104900      -1.139500      -1.080300    
 C    4.410200      -1.079800      0.4038000    
 H   -4.698300      -1.596500       1.400100    
 H   -4.563800      -2.776700      9.6699998E-02
 H   -4.110800      -1.014300      -1.541800    
 H   -5.587700     -0.6072000     -0.6638000    
 H   -2.482900      -2.638700       1.502800    
 H   -2.186100      -2.280800     -0.2005000    
 H   -4.040500       1.366200     -0.9261000    
 H   -4.330700      0.9855000      0.7796000    
 H   -2.516100     -0.2179000       2.040400    
 H   -1.021500     -0.6813000       1.256900    
 H   0.2369000     -0.5362000      -1.713900    
 H  -7.4999998E-03   2.328500       1.493000    
 H    2.325400       1.837500       2.119500    
 H    4.501000     -0.2643000      -1.610100    
 H    4.547700      -2.036800      -1.523600    
 H    3.977600      -1.933500      0.9401000    
 H    5.491900      -1.084500      0.5698000    


%chk=000002890-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002890

0 1
O 2.468866 -1.565391 -0.727556
O -1.853347 2.507502 -0.323638
O 4.164698 0.454579 0.550408
N -2.435208 0.336088 0.293193
C -4.273091 -1.925561 0.055632
C -4.460359 -0.629757 -0.769822
C -2.784641 -2.128355 0.429462
C -3.856150 0.591535 -0.041251
C -2.224893 -0.869056 1.128073
C -1.497253 1.343244 0.060376
C -0.032243 1.025041 0.224040
C 0.549111 -0.168261 -0.268859
C 1.939714 -0.367948 -0.186259
C 0.808479 2.029194 0.774477
C 2.768358 0.619521 0.415753
C 2.195474 1.821382 0.883245
C 3.931035 -1.500768 -0.938728
C 4.615918 -0.933527 0.308275
H -4.873522 -1.854574 0.986898
H -4.653494 -2.800121 -0.504741
H -3.965749 -0.739036 -1.754766
H -5.534821 -0.443444 -0.959363
H -2.667697 -3.000936 1.100362
H -2.193485 -2.332212 -0.485530
H -3.894662 1.505004 -0.655630
H -4.422985 0.791830 0.894183
H -2.762657 -0.723260 2.092062
H -1.156224 -0.979568 1.362241
H -0.054581 -0.935957 -0.763590
H 0.357789 2.971257 1.099664
H 2.853489 2.575932 1.324833
H 4.145482 -0.865639 -1.820104
H 4.247349 -2.537018 -1.138344
H 4.377663 -1.552650 1.194804
H 5.708236 -0.869971 0.179198


