%chk=000095623.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095623

0 1
 O   -3.726800       2.876300       1.250600    
 O   -3.383800      -2.464800      -2.246900    
 O    3.842400      -1.937200       2.314700    
 O    3.885200       2.788000      -2.022800    
 N   -1.687100      0.1556000     -0.2384000    
 N    2.040000      0.2870000     -3.7700001E-02
 C  -0.3111000      0.1599000     -0.7230000    
 C   0.6581000      0.3007000      0.4469000    
 C   -2.121400       1.514400      8.9599997E-02
 C   -2.581500     -0.4376000      -1.233700    
 C    2.953100     -0.1145000       1.023600    
 C    2.405200       1.604300     -0.5633000    
 C   -3.352800       1.522100      0.9987000    
 C   -2.506200      -1.966300      -1.237700    
 C    2.945800      -1.628500       1.247800    
 C    3.576900       1.492300      -1.525600    
 C   -3.105900      0.8541000       2.345400    
 C   -2.926700      -2.589200      8.7300003E-02
 C    3.396700      -2.416500      2.4499999E-02
 H  -6.4700000E-02 -0.7832000      -1.225200    
 H  -0.1779000      0.9434000      -1.478700    
 H   0.4820000       1.200900       1.047000    
 H   0.4656000     -0.5439000       1.119300    
 H   -1.342200       2.085900      0.6070000    
 H   -2.327800       2.096100     -0.8201000    
 H   -3.631200     -0.1769000      -1.056400    
 H   -2.371800     -4.9800001E-02  -2.240600    
 H    3.990100      0.1663000      0.8017000    
 H    2.727500      0.4042000       1.966300    
 H    2.635400       2.314800      0.2427000    
 H    1.583200       2.070200      -1.119500    
 H   -4.213000       1.051700      0.5139000    
 H   -1.502400      -2.313900      -1.500300    
 H    1.957800      -1.979100       1.561200    
 H    3.322400      0.8502000      -2.375900    
 H    4.479100       1.099500      -1.049500    
 H   -3.990900      0.9413000       2.985400    
 H   -2.868100     -0.2075000       2.237300    
 H   -2.284900       1.344700       2.880000    
 H   -3.944000      -2.285400      0.3578000    
 H   -2.248900      -2.310300      0.8993000    
 H   -2.936300      -3.682300      1.2800000E-02
 H    4.407300      -2.122300     -0.2797000    
 H    2.719800      -2.273600     -0.8230000    
 H    3.438000      -3.487600      0.2511000    
 H   -4.532200       2.864200       1.795500    
 H   -3.292200      -3.432800      -2.266700    
 H    3.795300      -2.895700       2.472500    
 H    4.625700       2.686600      -2.644900    


%chk=000095623-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095623

0 1
O -3.995812 2.879189 0.775029
O -3.208961 -2.828148 -2.136983
O 3.746522 -2.376568 2.120853
O 3.917980 2.979337 -1.620938
N -1.752678 0.141632 -0.405660
N 2.021284 0.310863 0.189141
C -0.304328 0.124595 -0.736281
C 0.579087 0.233035 0.526415
C -2.292222 1.506258 -0.180014
C -2.576064 -0.669250 -1.337220
C 2.904756 -0.350479 1.178130
C 2.475444 1.662469 -0.217539
C -3.388416 1.535227 0.904178
C -2.567835 -2.168485 -0.976861
C 3.026244 -1.868098 0.931737
C 3.530799 1.588417 -1.329752
C -2.840573 1.293983 2.318734
C -3.307007 -2.474992 0.334010
C 3.762337 -2.205656 -0.373142
H -0.061332 -0.828549 -1.239376
H -0.036991 0.934963 -1.457367
H 0.251352 1.103807 1.145325
H 0.402223 -0.667630 1.141941
H -1.472925 2.172989 0.146242
H -2.719054 1.950385 -1.108460
H -3.622754 -0.315354 -1.301720
H -2.239901 -0.569023 -2.395321
H 3.918553 0.086548 1.114447
H 2.556260 -0.199321 2.225748
H 2.893659 2.246839 0.634315
H 1.614181 2.235412 -0.604881
H -4.151939 0.761526 0.666944
H -1.513640 -2.515275 -0.893392
H 2.005782 -2.311544 0.902347
H 3.090563 1.091057 -2.219103
H 4.407902 0.995295 -0.992142
H -3.654384 1.238906 3.067426
H -2.282775 0.340936 2.344794
H -2.154463 2.111719 2.607484
H -4.378929 -2.220764 0.238312
H -2.870567 -1.874639 1.151960
H -3.224288 -3.544524 0.608487
H 4.809053 -1.851828 -0.326194
H 3.254706 -1.707276 -1.218147
H 3.770326 -3.295769 -0.566812
H -4.629661 3.016935 1.523549
H -3.354663 -3.783710 -1.920645
H 3.970731 -3.330146 1.974803
H 4.593214 2.990504 -2.344104


