%chk=000052293.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052293

0 1
 O   -1.370100       1.121300     -0.2624000    
 O   -3.168300       2.557900     -0.2173000    
 N    1.282500       1.006100      0.7739000    
 N   -5.851000      -3.277400      0.2040000    
 C   0.9939000       1.764000     -0.4332000    
 C    2.724200      0.9538000       1.019600    
 C    3.402200     -6.7199998E-02  9.0700001E-02
 C    4.818300     -0.4451000      0.5438000    
 C  -0.4743000       2.221900     -0.3648000    
 C    1.939900       2.971500     -0.5068000    
 C    1.236500      0.8490000      -1.641400    
 C    2.981900      0.6020000       2.484500    
 C    5.477900      -1.404400     -0.4506000    
 C    6.885700      -1.836100     -3.4299999E-02
 C    7.572800      -2.732700      -1.052700    
 C   -2.693500       1.433000     -0.1964000    
 C   -3.518300      0.2028000     -9.1200002E-02
 C   -4.907600      0.2991000     -1.0300000E-02
 C   -2.903900      -1.049300     -7.3700003E-02
 C   -5.682300     -0.8565000      8.8200003E-02
 C   -3.678500      -2.205100      2.4800001E-02
 C   -5.067800      -2.108600      0.1057000    
 H    3.250600       1.907400      0.9491000    
 H    2.804200     -0.9847000      2.2800000E-02
 H    3.530400      0.3398000     -0.9098000    
 H   0.8322000       1.459100       1.569700    
 H    5.432500      0.4574000      0.6466000    
 H    4.793100     -0.9472000       1.516900    
 H  -0.7226000       2.795000      -1.267900    
 H  -0.6223000       2.883900      0.4994000    
 H    1.953400       3.552800      0.4238000    
 H    2.962500       2.740400     -0.8255000    
 H    1.569200       3.664300      -1.275000    
 H    1.074100     -0.2118000      -1.418800    
 H   0.5119000       1.088700      -2.431700    
 H    2.204900      0.9867000      -2.126900    
 H    2.677300     -0.4256000       2.713300    
 H    2.418200       1.268100       3.149400    
 H    4.034000      0.7262000       2.761600    
 H    5.529300     -0.9231000      -1.435300    
 H    4.851000      -2.297100     -0.5676000    
 H    6.834900      -2.362400      0.9263000    
 H    7.506000     -0.9457000      0.1240000    
 H    6.999400      -3.651200      -1.212700    
 H    8.571900      -3.010300     -0.7028000    
 H    7.677900      -2.221400      -2.014900    
 H   -5.405400       1.265100     -2.2399999E-02
 H   -1.826000      -1.170800     -0.1347000    
 H   -6.764000     -0.7685000      0.1504000    
 H   -3.188400      -3.175300      3.7200000E-02
 H   -5.405800      -4.185400      0.2187000    
 H   -6.858100      -3.208200      0.2647000    


%chk=000052293-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052293

0 1
O -1.148148 1.366000 -0.167043
O -3.281196 2.310027 -0.119084
N 1.467114 1.817001 0.763464
N -4.558500 -4.076844 -0.060297
C 0.947717 2.612116 -0.385125
C 2.901801 1.423668 0.816423
C 3.089292 -0.078447 0.451224
C 4.554067 -0.568252 0.381039
C -0.574764 2.740400 -0.170989
C 1.533584 4.047320 -0.333382
C 1.228421 1.977391 -1.782705
C 3.486089 1.760167 2.209585
C 4.674392 -2.032625 -0.099911
C 6.133656 -2.538681 -0.162458
C 6.244804 -4.005096 -0.632622
C -2.552424 1.283494 -0.131890
C -3.030336 -0.116276 -0.115704
C -4.431542 -0.353427 -0.066531
C -2.150006 -1.232467 -0.147633
C -4.943043 -1.657962 -0.047884
C -2.650452 -2.542809 -0.129688
C -4.058486 -2.779724 -0.078898
H 3.451563 2.024949 0.063108
H 2.537232 -0.690183 1.198340
H 2.601316 -0.260948 -0.527794
H 0.842489 1.025595 0.968880
H 5.128753 0.089920 -0.304991
H 5.033149 -0.476626 1.376158
H -1.052520 3.325495 -0.976797
H -0.794938 3.211144 0.803743
H 1.324956 4.510396 0.646935
H 2.629080 4.027292 -0.474231
H 1.105723 4.680774 -1.132554
H 0.743895 0.988896 -1.864870
H 0.842109 2.620952 -2.595819
H 2.315012 1.853354 -1.943040
H 2.991256 1.151966 2.990546
H 3.300301 2.822315 2.443989
H 4.574942 1.571799 2.260265
H 4.209730 -2.130485 -1.103635
H 4.089273 -2.689552 0.577851
H 6.597877 -2.434673 0.839748
H 6.716580 -1.885013 -0.843220
H 5.695281 -4.681936 0.048857
H 7.297391 -4.341850 -0.666384
H 5.817257 -4.130852 -1.645482
H -5.103386 0.511266 -0.043012
H -1.070896 -1.058026 -0.188425
H -6.026533 -1.823183 -0.009200
H -1.959588 -3.394370 -0.155271
H -3.933651 -4.877795 -0.081423
H -5.559195 -4.249397 -0.024165


