%chk=000083668.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083668

0 1
 O  -0.4545000      -3.468200      1.8600000E-02
 O   -1.301200       2.482300     -5.1199999E-02
 O   -2.862200      -2.626500      5.8600001E-02
 O   -3.706100       3.323100     -6.2000002E-03
 O    7.146900      0.5554000     -0.2218000    
 N    1.183300       1.855500     -9.8800004E-02
 N   -5.368500      -1.987400      0.1070000    
 C  -0.6565000      0.2146000     -3.2900002E-02
 C   -1.071900      -1.118400     -3.7000000E-03
 C   -3.502000     -0.3602000      4.1299999E-02
 C   -3.086800      0.9728000      1.2600000E-02
 C   0.7094000      0.5197000     -6.9200002E-02
 C   -1.648800       1.308800     -2.5500000E-02
 C    1.653200     -0.5076000     -7.5900003E-02
 C   -2.509800      -1.454500      3.4200002E-02
 C  -0.1213000      -2.146300     -1.0300000E-02
 C    1.238900      -1.837700     -4.6500001E-02
 C   -4.868000     -0.6653000      7.7600002E-02
 C    3.078200     -0.2327000     -0.1138000    
 C   -4.037300       2.000600      2.0000000E-02
 C   -5.812000      0.3621000      8.4799998E-02
 C   -5.397500       1.692000      5.6000002E-02
 C    3.729200     -0.1193000      -1.339300    
 C    3.786200     -8.3200000E-02   1.075600    
 C    5.098200      0.1454000      -1.375600    
 C    5.155300      0.1816000       1.039400    
 C    5.811300      0.2958000     -0.1862000    
 C    7.814300      0.6975000       1.031300    
 H    1.976800      -2.637900     -5.1600002E-02
 H   -6.876600      0.1424000      0.1126000    
 H   -6.149200       2.477200      6.2199999E-02
 H    2.172100       2.061200     -0.1265000    
 H   0.5343000       2.629100     -9.6799999E-02
 H    3.187500     -0.2333000      -2.275200    
 H    3.288300     -0.1690000       2.038500    
 H   -6.367000      -2.147900      0.1346000    
 H   -4.741300      -2.778800      0.1062000    
 H   0.3526000      -4.010400      8.0000004E-03
 H    5.603700      0.2338000      -2.333400    
 H    5.647500      0.2873000       2.000100    
 H   -4.514500       3.863500      4.8000002E-03
 H    7.433300       1.555700       1.595100    
 H    7.779700     -0.2298000       1.613100    
 H    8.868400      0.8998000      0.8149000    


%chk=000083668-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083668

0 1
O -0.545054 -3.546025 0.022011
O -1.309948 2.547532 -0.014497
O -3.006451 -2.711716 0.043586
O -3.764584 3.385926 -0.005987
O 7.288500 0.571364 -0.278647
N 1.140547 1.830876 -0.045056
N -5.457614 -1.996048 0.055329
C -0.720816 0.211978 -0.007491
C -1.158858 -1.162498 0.009148
C -3.591127 -0.376924 0.025717
C -3.156844 0.998497 0.010136
C 0.689559 0.531185 -0.028565
C -1.704798 1.316485 -0.004962
C 1.655651 -0.539695 -0.033980
C -2.608403 -1.481498 0.027756
C -0.177941 -2.193787 0.005444
C 1.204728 -1.860864 -0.016249
C -5.001442 -0.695978 0.039470
C 3.124147 -0.234241 -0.063935
C -4.135759 2.034560 0.008594
C -5.946560 0.377075 0.036496
C -5.519982 1.702533 0.021569
C 3.814478 -0.103872 -1.302057
C 3.862402 -0.072905 1.134728
C 5.195237 0.161660 -1.339481
C 5.251043 0.194929 1.115356
C 5.919345 0.311121 -0.129059
C 8.086746 0.735576 0.939221
H 1.950429 -2.667809 -0.021084
H -7.017689 0.144979 0.046473
H -6.265232 2.509790 0.019768
H 2.142122 2.014574 -0.064161
H 0.408437 2.563675 -0.043129
H 3.260611 -0.218957 -2.240416
H 3.346775 -0.163996 2.097512
H -6.456593 -2.189252 0.063860
H -4.727976 -2.731428 0.058163
H 0.275267 -4.105704 0.012570
H 5.732882 0.256158 -2.287807
H 5.789340 0.307317 2.061151
H -4.583276 3.948088 -0.006498
H 7.731663 1.594843 1.540817
H 8.071975 -0.182884 1.557831
H 9.110663 0.928164 0.587056


