%chk=000128775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128775

0 1
 O   1.4900000E-02  0.6413000       1.800100    
 O   -3.836700       2.544100     -0.3155000    
 O   -2.789300       2.199500      -2.296200    
 N    1.903600       2.765400       2.050600    
 N    5.255700     -0.4247000     -0.4398000    
 N    6.341200      -2.563800     -0.5665000    
 N    7.561100     -0.6386000     -0.5473000    
 C   -1.904700       1.129800     -0.2859000    
 C  -0.4850000       1.718300     -0.3089000    
 C    1.818800       1.925700      0.8575000    
 C    2.903500      0.8402000      0.8703000    
 C   0.4130000       1.332900      0.8627000    
 C   -1.925200     -0.3477000     -0.7293000    
 C    2.838000     -5.2299999E-02 -0.3774000    
 C   -3.134500      -1.102400     -0.2255000    
 C   -2.861900       2.000900      -1.090800    
 C    3.953400      -1.092000     -0.4085000    
 C   -4.300200      -1.142800     -0.9905000    
 C   -3.084700      -1.758000       1.004800    
 C   -5.416000      -1.838700     -0.5252000    
 C   -4.200300      -2.454100       1.470000    
 C   -5.366000      -2.494500      0.7050000    
 C    6.301200      -1.188300     -0.5135000    
 H   -2.252800       1.174000      0.7564000    
 H   2.3000000E-02   1.426700      -1.235900    
 H  -0.5478000       2.814100     -0.3009000    
 H    1.943000       2.557400     -2.9200001E-02
 H    2.799300      0.2095000       1.763000    
 H    3.886800       1.322400      0.9329000    
 H   -1.885700     -0.4169000      -1.824500    
 H   -1.025800     -0.8658000     -0.3717000    
 H    2.902600      0.5756000      -1.274600    
 H    1.875100     -0.5743000     -0.4159000    
 H    3.872800      -1.735200      0.4763000    
 H    3.820700      -1.711900      -1.303500    
 H    2.830100       3.186600       2.106900    
 H    1.245100       3.539900       1.972300    
 H   -4.352000     -0.6370000      -1.951000    
 H   -2.183000      -1.731600       1.610800    
 H   -6.323700      -1.870300      -1.120800    
 H   -4.161700      -2.964000       2.428200    
 H   -4.452700       3.099400     -0.8392000    
 H   -6.234800      -3.036200       1.067200    
 H    7.224600      -3.059000     -0.6235000    
 H    5.500900      -3.130700     -0.5488000    
 H    8.391300      -1.218300     -0.6038000    
 H    7.695000      0.3662000     -0.5150000    


%chk=000128775-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128775

0 1
O -0.314663 1.187768 2.142287
O -3.028080 2.941667 -1.242206
O -2.708888 1.090486 -2.602200
N 2.038110 2.603603 2.501850
N 5.023472 -0.371890 -0.478002
N 6.224442 -2.356808 -1.202595
N 7.322962 -0.296688 -0.958098
C -1.780188 1.105403 -0.294415
C -0.385063 1.784006 -0.226651
C 1.800028 1.941525 1.207790
C 2.654408 0.637022 1.010687
C 0.306645 1.595152 1.121966
C -1.676267 -0.444549 -0.355182
C 2.584747 -0.035457 -0.377551
C -2.983184 -1.137435 0.007850
C -2.537522 1.650122 -1.496214
C 3.722396 -1.065708 -0.562219
C -3.843737 -1.660889 -0.989859
C -3.368917 -1.248350 1.370306
C -5.060783 -2.287689 -0.634985
C -4.583840 -1.874131 1.726879
C -5.434411 -2.397453 0.724171
C 6.112896 -1.000960 -0.853288
H -2.327673 1.398880 0.620157
H 0.278282 1.430250 -1.038803
H -0.484349 2.881142 -0.367638
H 2.051853 2.635809 0.380503
H 2.369022 -0.082937 1.804764
H 3.713233 0.916629 1.177242
H -1.353335 -0.736525 -1.371415
H -0.890973 -0.753198 0.358395
H 2.689950 0.731050 -1.171773
H 1.612403 -0.546868 -0.527294
H 3.623670 -1.841337 0.234572
H 3.583074 -1.586106 -1.540232
H 3.029992 2.695677 2.740386
H 1.480497 2.189727 3.258157
H -3.560386 -1.563984 -2.044346
H -2.708612 -0.843537 2.148103
H -5.715566 -2.688655 -1.417322
H -4.866595 -1.956238 2.782791
H -3.501609 3.277055 -2.051458
H -6.376454 -2.885168 0.999937
H 6.979098 -2.674592 -1.806547
H 5.429908 -2.974055 -1.063804
H 8.196859 -0.763019 -0.718726
H 7.253350 0.702053 -0.770071


