%chk=000085864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085864

2 1
 O   0.6853000      0.1884000      -1.210000    
 O  -0.1206000       1.299200      0.6484000    
 N   -2.218300     -0.9152000      0.2704000    
 N    4.069400      0.1269000      0.3073000    
 C   -3.859200       1.033800     -0.1656000    
 C   -1.608700      5.4699998E-02 -0.7763000    
 C   -2.514000     -0.1804000       1.586900    
 C   -3.546000      -1.462600     -0.2908000    
 C   -2.610200       1.189000      -1.041800    
 C   -3.425000       1.013500       1.303500    
 C   -4.522200     -0.3055000     -0.4990000    
 C   -1.282100      -2.088800      0.5351000    
 C  -0.2824000      0.5975000     -0.3409000    
 C    2.700500     -0.3757000     -8.1000002E-03
 C    2.010400      0.6388000     -0.9113000    
 C    2.836000      -1.737100     -0.6709000    
 C    4.901500      0.2588000     -0.9724000    
 C    3.995100       1.501600      0.9797000    
 C    4.790400     -0.8368000       1.255500    
 H   -4.555300       1.859700     -0.3465000    
 H   -1.479400     -0.5372000      -1.692100    
 H   -1.574700      0.1038000       2.067800    
 H   -3.016300     -0.8993000       2.245900    
 H   -3.939400      -2.191400      0.4270000    
 H   -3.320800      -1.975800      -1.232700    
 H   -2.158600       2.174700     -0.8729000    
 H   -2.901000       1.172000      -2.100200    
 H   -2.901000       1.943900       1.554000    
 H   -4.301700      0.9700000       1.960900    
 H   -5.409300     -0.4549000      0.1287000    
 H   -4.878100     -0.3082000      -1.536300    
 H   -1.064300      -2.578200     -0.4184000    
 H  -0.3643000      -1.712900      0.9948000    
 H   -1.782900      -2.782900       1.216500    
 H    2.150200     -0.4872000      0.9348000    
 H    1.954300       1.650600     -0.5023000    
 H    2.488400      0.7205000      -1.890800    
 H    3.356100      -2.484000     -6.7500003E-02
 H    1.831300      -2.154800     -0.8199000    
 H    3.277700      -1.705900      -1.670600    
 H    5.888700      0.6295000     -0.6719000    
 H    5.042800     -0.7134000      -1.447000    
 H    4.463800      0.9934000      -1.649400    
 H    3.752400       2.268300      0.2401000    
 H    3.250700       1.458700       1.780000    
 H    4.979900       1.733600       1.398000    
 H    4.122900      -1.069600       2.090100    
 H    5.093300      -1.737200      0.7163000    
 H    5.694000     -0.3422000       1.626800    


%chk=000085864-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085864

2 1
O 0.660445 -0.010851 -0.890305
O 0.071573 0.512145 1.309301
N -2.585085 -0.764071 0.814806
N 4.359058 0.052663 0.201325
C -3.788608 0.859094 -0.845200
C -1.618075 -0.347618 -0.320344
C -3.114004 0.489145 1.567138
C -3.799915 -1.460833 0.135777
C -2.268822 0.824061 -1.144426
C -3.997799 1.340774 0.614199
C -4.365138 -0.569777 -1.001264
C -1.947724 -1.739092 1.797791
C -0.235988 0.077231 0.179309
C 3.017851 -0.531619 -0.394225
C 2.006705 0.607791 -0.702149
C 3.241738 -1.409854 -1.635102
C 4.931146 1.175194 -0.669805
C 4.112340 0.587652 1.618405
C 5.406479 -1.063952 0.307842
H -4.284673 1.548905 -1.546827
H -1.501208 -1.241862 -0.957130
H -2.225701 1.025527 1.934927
H -3.677015 0.107533 2.434555
H -4.531214 -1.624103 0.944897
H -3.450570 -2.444494 -0.221008
H -1.813014 1.793257 -0.872878
H -2.067907 0.649687 -2.213917
H -3.720926 2.404136 0.712625
H -5.062827 1.257849 0.889739
H -5.465554 -0.550314 -0.935496
H -4.108289 -0.983556 -1.991885
H -1.474821 -2.562092 1.237927
H -1.205396 -1.209286 2.410061
H -2.739595 -2.148184 2.443680
H 2.614188 -1.143133 0.434664
H 1.933260 1.359139 0.101279
H 2.215137 1.088735 -1.670286
H 3.770527 -2.348887 -1.412331
H 2.250097 -1.685463 -2.034510
H 3.772923 -0.879272 -2.444902
H 5.919881 1.454151 -0.274799
H 5.040803 0.821085 -1.704874
H 4.269020 2.052521 -0.632882
H 3.335255 1.363713 1.606028
H 3.797644 -0.244697 2.265993
H 5.050414 1.018741 1.999806
H 4.973756 -1.920344 0.846992
H 5.728320 -1.370278 -0.696360
H 6.270609 -0.673397 0.866739


