%chk=000055455.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055455

0 1
 O  -0.6371000      -2.535300      1.1200000E-02
 O   -7.488500      0.1297000     -1.9999999E-04
 O   -5.992000       1.884100      9.7000003E-03
 N   -3.884500      0.1586000      4.6000001E-03
 C   -1.460000     -0.2696000     -2.0400001E-02
 C   -2.861800     -0.8788000     -2.3000001E-03
 C    1.055100     -0.9026000     -1.7000000E-03
 C  -0.3736000      -1.335100     -2.7999999E-03
 C    3.688800     -0.1067000       0.000000    
 C    2.035300      -1.868300      1.4200000E-02
 C    1.336600      0.4443000     -1.6700000E-02
 C    3.370500      -1.464800      1.5000000E-02
 C    2.671800      0.8477000     -1.6000001E-02
 C    5.074000      0.3112000      3.0000001E-04
 C   -5.218700     -0.4247000      1.0800000E-02
 C    5.746300      0.4981000      -1.207500    
 C    5.737100      0.5277000       1.208300    
 C   -6.239400      0.6859000      6.5000001E-03
 C    7.081600      0.9012000      -1.207500    
 C    7.072500      0.9309000       1.208300    
 C    7.744700       1.117700      3.9999999E-04
 C   -8.577300       1.058700     -3.5000001E-03
 C   -9.881400      0.2900000     -1.0900000E-02
 H   -1.345700      0.3346000     -0.9280000    
 H   -1.338500      0.3659000      0.8648000    
 H   -2.968400      -1.519100      0.8827000    
 H   -2.984300      -1.519200     -0.8850000    
 H   -3.763300      0.7478000      0.8284000    
 H    1.809400      -2.929900      2.6100000E-02
 H   0.5799000       1.220000     -3.0300001E-02
 H    4.151200      -2.221800      2.7500000E-02
 H    2.903200       1.910400     -2.8300000E-02
 H   -5.374200      -1.032300     -0.8872000    
 H   -5.372600      -1.032100      0.9095000    
 H    5.244300      0.3339000      -2.158200    
 H    5.228000      0.3867000       2.158900    
 H    7.605100       1.046700      -2.147900    
 H    7.589000       1.099500       2.148700    
 H    8.784300       1.431600      3.9999999E-04
 H   -8.515100       1.690800     -0.8963000    
 H   -8.523400       1.687600      0.8922000    
 H   -10.73700      0.9711000     -1.3700000E-02
 H   -9.942000     -0.3576000     -0.8918000    
 H   -9.950300     -0.3606000      0.8672000    


%chk=000055455-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000055455

0 1
O -0.613141 -2.696407 -0.365698
O -7.593590 0.226845 -0.080006
O -6.045649 1.350404 1.255600
N -3.961633 -0.093672 0.057253
C -1.529260 -0.467483 -0.005752
C -2.915831 -1.127894 -0.048554
C 1.029608 -0.951520 -0.129572
C -0.380961 -1.463494 -0.178354
C 3.759346 -0.072781 -0.057925
C 2.097869 -1.880110 -0.263188
C 1.346125 0.423508 0.040655
C 3.434121 -1.450143 -0.226498
C 2.685989 0.852621 0.074081
C 5.176680 0.385216 -0.023329
C -5.333737 -0.586852 -0.093700
C 6.178218 -0.278616 -0.785704
C 5.566754 1.498769 0.772174
C -6.321573 0.442809 0.435578
C 7.520022 0.155891 -0.755475
C 6.908446 1.933311 0.804269
C 7.892805 1.264372 0.039959
C -8.673949 1.134800 0.424377
C -9.958146 0.726566 -0.288695
H -1.476299 0.303091 -0.800857
H -1.393456 0.077782 0.952058
H -2.983428 -1.910709 0.745097
H -3.032931 -1.659658 -1.010962
H -3.874196 0.507026 0.888960
H 1.845562 -2.938623 -0.386473
H 0.547955 1.167282 0.133466
H 4.239634 -2.189094 -0.298402
H 2.905046 1.921576 0.170634
H -5.568477 -0.803116 -1.152494
H -5.534654 -1.536142 0.469794
H 5.899409 -1.118902 -1.431389
H 4.821522 2.006919 1.394493
H 8.272661 -0.363975 -1.358594
H 7.187983 2.786846 1.431871
H 8.934813 1.601690 0.064198
H -8.377414 2.176389 0.206326
H -8.739611 1.017090 1.521322
H -10.792417 1.368605 0.048059
H -9.854014 0.836732 -1.381499
H -10.216601 -0.323050 -0.067606


