%chk=000054719.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054719

0 1
 O   0.1333000       2.334400       1.259300    
 O  -0.8128000      -4.399700      -1.151600    
 N    1.139600      0.2080000       1.144100    
 N    3.496100      0.2401000      0.9086000    
 C   -1.045400      0.4388000      0.1664000    
 C  -0.4720000     -0.9720000      3.4000002E-02
 C    2.382800      0.4858000       1.824900    
 C   0.1320000       1.156000      0.9278000    
 C   0.7934000      -1.040700      0.6193000    
 C    3.399300       1.119500     -0.2650000    
 C    4.780300      0.4171000       1.600800    
 C    4.529300      0.8412000      -1.257300    
 C    5.955500      0.1158000      0.6694000    
 C    5.895400      0.9688000     -0.5927000    
 C   -2.281500      0.4756000       1.001600    
 C   -1.261000       1.094200      -1.156900    
 C   -1.024400      -2.094900     -0.5698000    
 C    1.533300      -2.212300      0.6302000    
 C  -0.2914000      -3.284200     -0.5679000    
 C   -3.449700     -0.1329000      0.5440000    
 C   -2.178500       2.137500      -1.276100    
 C   -2.267500       1.118600       2.238900    
 C  -0.5453000      0.6626000      -2.273100    
 C   0.9774000      -3.342300      2.8400000E-02
 C   -4.605200     -9.8499998E-02   1.324600    
 C   -2.380300       2.750100      -2.513000    
 C   -3.423000       1.152900       3.019400    
 C  -0.7471000       1.275300      -3.509900    
 C   -4.591900      0.5444000       2.562300    
 C   -1.664600       2.319100      -3.629900    
 C   -2.105900      -4.278300      -1.740700    
 H    2.434500     -0.1799000       2.695000    
 H    2.380700       1.518700       2.194100    
 H    3.428100       2.175300      3.5900000E-02
 H    2.463800      0.9652000     -0.8127000    
 H    4.838000     -0.2679000       2.455400    
 H    4.874700       1.438000       1.994100    
 H    4.462700       1.539000      -2.099800    
 H    4.415800     -0.1697000      -1.669200    
 H    5.942200     -0.9463000      0.3936000    
 H    6.900100      0.2980000       1.194100    
 H    6.683300      0.6648000      -1.290300    
 H    6.080100       2.018600     -0.3341000    
 H   -1.990800      -1.998500      -1.043200    
 H    2.510000      -2.281100       1.094500    
 H   -3.508800     -0.6139000     -0.4266000    
 H   -2.732700       2.532900     -0.4302000    
 H   -1.400800       1.575500       2.696200    
 H   0.2056000     -0.1196000      -2.230800    
 H    1.536000      -4.275100      2.5100000E-02
 H   -5.517400     -0.5662000      0.9657000    
 H   -3.088200       3.568600      -2.605100    
 H   -3.411600       1.644400       3.988000    
 H  -0.1838000      0.9459000      -4.378200    
 H   -5.491400      0.5705000       3.170400    
 H   -1.818800       2.798700      -4.592000    
 H   -2.868400      -4.031300     -0.9941000    
 H   -2.367500      -5.259700      -2.149800    
 H   -2.101700      -3.574500      -2.580200    


%chk=000054719-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054719

0 1
O 0.080254 2.356081 1.316556
O -0.876635 -4.639310 -0.799528
N 1.138680 0.257161 1.062488
N 3.552550 0.453303 0.791532
C -1.089190 0.414577 0.167963
C -0.536174 -1.012622 0.081093
C 2.406453 0.599887 1.710694
C 0.075664 1.161002 0.920579
C 0.783669 -1.038179 0.586334
C 3.543371 1.456292 -0.306751
C 4.849509 0.420987 1.514489
C 4.661108 1.157363 -1.324182
C 6.003950 0.094661 0.544220
C 6.038435 1.105461 -0.624728
C -2.407884 0.445360 0.967607
C -1.218461 1.113117 -1.210220
C -1.144167 -2.187153 -0.391565
C 1.545735 -2.222439 0.601507
C -0.391957 -3.392169 -0.362606
C -3.639367 0.222784 0.299280
C -1.744060 2.431576 -1.257851
C -2.417102 0.598990 2.376279
C -0.783042 0.506015 -2.413287
C 0.941789 -3.403326 0.121628
C -4.850148 0.150750 1.021212
C -1.844136 3.119842 -2.484332
C -3.628341 0.529732 3.099767
C -0.885068 1.196984 -3.643568
C -4.850089 0.301935 2.427103
C -1.417761 2.504245 -3.685528
C -2.254981 -4.691193 -1.288482
H 2.574700 -0.078911 2.569957
H 2.273125 1.637584 2.097234
H 3.677359 2.491936 0.100694
H 2.556637 1.423636 -0.801797
H 4.789526 -0.347857 2.309258
H 5.062621 1.402017 2.015600
H 4.651798 1.932055 -2.114273
H 4.453163 0.182727 -1.806415
H 5.853739 -0.927031 0.144651
H 6.962169 0.102940 1.098437
H 6.831453 0.833277 -1.346507
H 6.290082 2.112701 -0.232122
H -2.175114 -2.162233 -0.755568
H 2.581694 -2.221658 0.948902
H -3.651185 0.128157 -0.792733
H -2.056982 2.915950 -0.327156
H -1.481448 0.790749 2.911812
H -0.365521 -0.505812 -2.394371
H 1.487245 -4.351712 0.111048
H -5.792381 -0.016427 0.486901
H -2.250179 4.137460 -2.503071
H -3.618085 0.658475 4.188013
H -0.545920 0.712003 -4.566127
H -5.789423 0.250946 2.989047
H -1.496307 3.038909 -4.638936
H -2.974195 -4.385627 -0.503299
H -2.425828 -5.743832 -1.557882
H -2.391446 -4.051738 -2.183102


