%chk=000116284.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116284

1 1
 O    5.898800     -0.7575000      0.7353000    
 O   -6.174700     -0.5765000     -7.0699997E-02
 N    3.648700      0.2863000     -0.5606000    
 N   -3.511000      0.1779000      0.3784000    
 C    4.930700       1.049700     -0.5709000    
 C    3.786300      -1.189500     -0.3881000    
 C   -3.826900      -1.185800     -4.6799999E-02
 C   -4.597700      0.8676000       1.073700    
 C    5.714400      0.6610000      0.6738000    
 C    4.643100      -1.436500      0.8449000    
 C   -5.129400      -1.178300     -0.8384000    
 C   -5.866200      0.7861000      0.2328000    
 C    2.505400      0.8601000     -0.6894000    
 C   -2.252800      0.6972000      0.2922000    
 C    1.238900      0.1155000     -0.6802000    
 C   -1.151000      9.0499997E-02 -0.1678000    
 C   0.1435000      0.7320000     -0.2181000    
 H    4.723200       2.123900     -0.5966000    
 H    5.459500      0.7551000      -1.483200    
 H    4.281200      -1.560000      -1.292200    
 H    2.832600      -1.700400     -0.2640000    
 H   -3.938500      -1.810100      0.8481000    
 H   -3.063600      -1.646700     -0.6783000    
 H   -4.357500       1.919300       1.267700    
 H   -4.757800      0.3774000       2.041600    
 H    6.706300       1.123200      0.6459000    
 H    5.217500       1.001400       1.590900    
 H    4.137000      -1.116500       1.764200    
 H    4.854400      -2.506500      0.9406000    
 H   -5.019700     -0.6390000      -1.787000    
 H   -5.433200      -2.203900      -1.070700    
 H   -6.711200       1.206100      0.7873000    
 H   -5.765000       1.351500     -0.7015000    
 H    2.464300       1.959000     -0.7531000    
 H   -2.194500       1.718100      0.6592000    
 H    1.185600     -0.8974000      -1.059900    
 H   -1.174000     -0.9328000     -0.5267000    
 H   0.2047000       1.753800      0.1492000    


%chk=000116284-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116284

1 1
O 6.339653 -0.668767 0.254872
O -6.379595 -0.429349 -0.370740
N 3.692284 0.257091 -0.392511
N -3.699240 0.198397 0.472083
C 4.855443 1.187695 -0.426633
C 4.069777 -1.164250 -0.613222
C -4.105694 -1.213018 0.239110
C -4.839330 1.092052 0.821965
C 5.943652 0.710579 0.562238
C 5.187337 -1.567113 0.379597
C -5.251812 -1.262009 -0.800591
C -5.955858 0.969555 -0.239373
C 2.431170 0.700272 -0.181760
C -2.428789 0.659559 0.403010
C 1.238563 -0.049864 -0.151855
C -1.252691 -0.068174 0.133171
C -0.000099 0.582123 0.092502
H 4.519792 2.208753 -0.176814
H 5.271842 1.189651 -1.451846
H 4.445472 -1.267008 -1.648796
H 3.194401 -1.819301 -0.488456
H -4.461507 -1.635626 1.197836
H -3.248410 -1.806650 -0.112678
H -4.482915 2.133664 0.897178
H -5.238557 0.779876 1.805790
H 6.855014 1.318450 0.452423
H 5.573849 0.782328 1.607092
H 4.797919 -1.553901 1.419705
H 5.563314 -2.573998 0.140803
H -4.881664 -0.928417 -1.793237
H -5.647371 -2.286322 -0.881490
H -6.849930 1.527728 0.078875
H -5.604477 1.360300 -1.217852
H 2.355093 1.784445 -0.023422
H -2.329640 1.736963 0.591772
H 1.248773 -1.131525 -0.324714
H -1.286175 -1.149520 -0.038835
H 0.011807 1.670632 0.266404


