%chk=000102358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102358

1 1
 O    2.348200      0.3292000     -0.2334000    
 O    1.638500      -1.861400     -0.3819000    
 N  -0.8246000      0.2584000     -0.2882000    
 C   -1.991600      0.8758000      -1.067400    
 C   -1.251200      -1.055700      0.3759000    
 C   -3.227300       1.050800     -0.1938000    
 C   -2.489200     -0.8762000       1.245500    
 C   -3.642600     -0.2543000      0.4708000    
 C   0.2997000     -5.5000000E-02  -1.284300    
 C  -0.2607000       1.241000      0.7377000    
 C    1.483100     -0.6658000     -0.5893000    
 C    3.535000     -9.9299997E-02  0.4422000    
 C    4.382700       1.112400      0.7662000    
 H   -2.212400      0.2024000      -1.904500    
 H   -1.651500       1.837200      -1.468400    
 H  -0.4261000      -1.420700      0.9951000    
 H   -1.450400      -1.777500     -0.4253000    
 H   -4.053800       1.415300     -0.8154000    
 H   -3.060800       1.820400      0.5674000    
 H   -2.253200     -0.2551000       2.117500    
 H   -2.799800      -1.851900       1.637000    
 H   -4.488800     -7.5599998E-02   1.143700    
 H   -3.988700     -0.9593000     -0.2953000    
 H  -8.3999999E-02 -0.7578000      -2.032900    
 H   0.5780000      0.8717000      -1.799800    
 H   -1.071500       1.605400       1.371200    
 H   0.4667000      0.7300000       1.373800    
 H   0.1923000       2.082900      0.2056000    
 H    3.260700     -0.6172000       1.367900    
 H    4.097100     -0.7823000     -0.2045000    
 H    5.299900      0.8207000       1.285300    
 H    4.650000       1.651500     -0.1487000    
 H    3.826600       1.813600       1.397200    


%chk=000102358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102358

1 1
O 2.727931 0.405053 -0.253494
O 1.476243 -0.440255 1.525830
N -0.984517 0.502456 0.193859
C -2.006111 1.118247 -0.806048
C -1.300898 -1.012281 0.370739
C -3.467841 0.866828 -0.406441
C -2.759709 -1.266458 0.778648
C -3.757697 -0.639444 -0.219369
C 0.403181 0.678822 -0.429339
C -1.050843 1.239295 1.533586
C 1.569805 0.140269 0.418871
C 4.031687 -0.045608 0.390275
C 5.153280 0.388343 -0.539683
H -1.790118 0.648705 -1.783001
H -1.773516 2.195650 -0.870840
H -0.582725 -1.393895 1.112321
H -1.087986 -1.473034 -0.611651
H -4.096526 1.284086 -1.214438
H -3.731959 1.432304 0.506307
H -2.948690 -0.901231 1.805289
H -2.891566 -2.363214 0.819648
H -4.792101 -0.782223 0.136704
H -3.683152 -1.157563 -1.196109
H 0.407305 0.165707 -1.406407
H 0.561437 1.755278 -0.615234
H -2.072357 1.184658 1.929491
H -0.347891 0.762191 2.230062
H -0.775219 2.293102 1.368606
H 4.081734 0.428583 1.385639
H 3.968429 -1.140382 0.515669
H 6.120636 0.079215 -0.104701
H 5.059395 -0.083112 -1.531922
H 5.170659 1.483507 -0.665965


