%chk=000118752.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118752

0 1
 O   0.9878000     -0.6506000       2.117000    
 O   -3.410300      -2.202900     -0.6713000    
 O   -3.422700       2.309800      0.9316000    
 O   -4.775200      0.1505000     -0.1525000    
 N    1.628800      0.1221000     -2.1800000E-02
 C    1.957800     -8.5000005E-03  -2.480000    
 C    1.164000      0.6017000      -1.338200    
 C    3.415500      0.3889000      -2.349300    
 C    3.928100      0.1383000     -0.9550000    
 C    3.061400      1.6600000E-02  0.1556000    
 C   0.7162000     -0.2404000      0.9896000    
 C    5.321800      6.4400002E-02 -0.7782000    
 C    3.643700     -0.1668000       1.422300    
 C  -0.7257000     -0.1377000      0.6892000    
 C    5.870000     -0.1372000      0.4831000    
 C    5.030700     -0.2497000       1.582600    
 C   -1.403100       1.048500      0.9535000    
 C   -1.396700      -1.227900      0.1441000    
 C   -2.759100      -1.130900     -0.1394000    
 C   -2.765400       1.145500      0.6702000    
 C   -3.443500      5.5799998E-02  0.1235000    
 C   -3.991400      -3.128200      0.2452000    
 C   -3.462500       3.280200     -0.1128000    
 C   -5.170200     -4.1700002E-02  -1.508900    
 H    1.564300      0.3327000      -3.443800    
 H    1.861100      -1.101500      -2.454700    
 H    1.260400       1.695000      -1.333300    
 H   0.1095000      0.3808000      -1.509400    
 H    3.535300       1.455200      -2.577200    
 H    4.004800     -0.1780000      -3.079900    
 H    5.987400      0.1665000      -1.632300    
 H    3.075200     -0.2092000       2.341700    
 H    6.946800     -0.1941000      0.6085000    
 H    5.452600     -0.3875000       2.574300    
 H  -0.8764000       1.898900       1.379800    
 H  -0.8649000      -2.153400     -6.2600002E-02
 H   -4.738800      -2.632500      0.8727000    
 H   -3.217800      -3.584300      0.8710000    
 H   -4.485300      -3.915800     -0.3304000    
 H   -2.449800       3.602600     -0.3749000    
 H   -4.023400       4.147200      0.2465000    
 H   -3.968600       2.877600     -0.9958000    
 H   -4.371400      0.2145000      -2.213800    
 H   -6.022400      0.6151000      -1.707300    
 H   -5.496500      -1.074000      -1.661900    


%chk=000118752-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118752

0 1
O 1.148022 -1.744475 1.091786
O -3.775336 -2.395432 -0.285089
O -2.843954 2.473521 -0.180258
O -4.759014 0.316533 -0.415466
N 1.824086 -0.006241 -0.348595
C 2.508678 0.140217 -2.728225
C 1.539830 0.662675 -1.649428
C 3.949888 0.524661 -2.347867
C 4.238516 0.279980 -0.869786
C 3.205509 -0.004310 0.073026
C 0.850388 -0.802702 0.292502
C 5.577495 0.346292 -0.412300
C 3.542061 -0.216725 1.438539
C -0.601547 -0.475367 0.038616
C 5.912247 0.135881 0.939234
C 4.880577 -0.147546 1.865321
C -1.082642 0.856037 0.029241
C -1.519677 -1.550760 -0.026864
C -2.896439 -1.294792 -0.156826
C -2.464508 1.122762 -0.096771
C -3.384361 0.043431 -0.231451
C -4.763792 -2.531277 0.811409
C -3.924501 2.930908 0.722782
C -5.284354 -0.094682 -1.742813
H 2.236564 0.571404 -3.709344
H 2.403140 -0.958356 -2.803005
H 1.657300 1.759328 -1.539047
H 0.498398 0.456052 -1.931534
H 4.114122 1.597920 -2.577027
H 4.676716 -0.036713 -2.964513
H 6.367894 0.563042 -1.142401
H 2.755653 -0.450621 2.157482
H 6.956201 0.187716 1.266430
H 5.116415 -0.316066 2.921764
H -0.404570 1.708757 0.131900
H -1.167091 -2.582990 0.046892
H -5.394370 -1.627348 0.888885
H -4.241613 -2.713163 1.769430
H -5.374644 -3.407136 0.545279
H -4.855387 2.371080 0.537400
H -4.056146 3.998289 0.489252
H -3.611247 2.813285 1.778033
H -4.780046 0.480954 -2.540432
H -6.357322 0.149276 -1.720584
H -5.135037 -1.177698 -1.898279


