%chk=000090310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090310

0 1
 O   -1.625000       1.401700     -0.4081000    
 O   -4.105200      0.5986000      0.5124000    
 O   0.5921000      0.5068000      -1.479300    
 N    4.929900      0.3468000      3.9299998E-02
 N    1.564200      -1.197600     -0.2433000    
 C    3.535300      6.9499999E-02  0.3817000    
 C    2.930900     -0.9144000     -0.6118000    
 C  -0.8464000     -0.8531000     -0.2224000    
 C   0.4957000     -0.4508000     -0.7163000    
 C   -1.843400      9.2699997E-02 -9.3000002E-02
 C    5.709500     -0.8904000      2.9999999E-02
 C    5.506000       1.307000      0.9799000    
 C   -3.096800     -0.3065000      0.3715000    
 C   -1.050300      -2.182000      9.3099996E-02
 C   -3.326800      -1.643300      0.6967000    
 C   -2.303500      -2.581100      0.5574000    
 C   -1.152000       2.247800      0.6370000    
 C  -0.9586000       3.646000      8.9900002E-02
 C   -4.955300      0.8024000     -0.6146000    
 H    2.957400       1.002500      0.3551000    
 H    3.447000     -0.3272000       1.402500    
 H    2.958500     -0.5141000      -1.631500    
 H    3.427800      -1.888100     -0.6041000    
 H    1.421500      -1.928200      0.4459000    
 H    5.478100      -1.513400     -0.8393000    
 H    5.576500      -1.478700      0.9454000    
 H    6.779100     -0.6656000     -6.4999998E-02
 H    6.532200       1.561000      0.6919000    
 H    5.520400      0.9235000       2.006600    
 H    4.938500       2.244300      0.9696000    
 H  -0.2922000      -2.947800     -3.4699999E-02
 H   -4.301000      -1.961700       1.057900    
 H   -2.485700      -3.623300      0.8030000    
 H   -1.881900       2.270500       1.454400    
 H  -0.2004000       1.869100       1.027100    
 H  -0.5983000       4.324300      0.8684000    
 H  -0.2384000       3.640300     -0.7350000    
 H   -1.899600       4.036400     -0.3116000    
 H   -5.702200       1.555300     -0.3485000    
 H   -4.379500       1.168000      -1.470600    
 H   -5.472200     -0.1259000     -0.8778000    


%chk=000090310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090310

0 1
O -1.882144 1.341265 -0.031314
O -4.447431 0.363559 0.356090
O 0.691917 0.164765 -1.549921
N 4.935177 0.209070 -0.015565
N 1.441098 -1.309992 0.082443
C 3.498052 0.111959 0.316156
C 2.858302 -1.164355 -0.288944
C -0.969476 -1.008001 -0.176989
C 0.432112 -0.646121 -0.602515
C -2.017380 -0.048688 -0.031062
C 5.787890 -0.657961 0.820859
C 5.430817 1.599682 -0.054988
C -3.362444 -0.509620 0.168367
C -1.275446 -2.393494 -0.038861
C -3.631472 -1.886214 0.298391
C -2.587747 -2.833425 0.210194
C -0.607799 2.006624 0.341624
C -0.979888 3.380024 0.895615
C -4.711986 1.361035 -0.703785
H 2.973780 0.980027 -0.121775
H 3.315263 0.132889 1.422359
H 2.930454 -1.096674 -1.387276
H 3.398829 -2.069929 0.040190
H 1.189833 -1.870970 0.897626
H 5.455335 -1.708640 0.755141
H 5.786880 -0.362629 1.902073
H 6.829768 -0.616448 0.456142
H 6.475905 1.609482 -0.414303
H 5.406538 2.112630 0.940430
H 4.823274 2.191152 -0.761957
H -0.476548 -3.127708 -0.191116
H -4.668758 -2.186127 0.476741
H -2.804773 -3.902159 0.303583
H -0.088574 1.388270 1.101881
H 0.029361 2.072356 -0.556603
H -0.061793 3.931755 1.170976
H -1.520627 3.971837 0.136689
H -1.620307 3.289803 1.789594
H -5.608595 1.901717 -0.364284
H -3.860094 2.049887 -0.818244
H -4.921403 0.850666 -1.663862


