%chk=000018577.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018577

0 1
 O   -1.363900     -0.8112000      -1.554100    
 O    4.834500      -3.481200      0.5642000    
 O   -7.412800     -0.8740000      0.1941000    
 N    2.976800       2.297100      -1.121600    
 C    1.206700       1.881600      0.6749000    
 C    2.720800       1.738300      0.2175000    
 C   0.3147000      0.9325000     -0.1922000    
 C   0.7002000       3.334600      0.5521000    
 C    1.087600       1.469500       2.164100    
 C    3.292100      0.3262000      0.3114000    
 C   -1.170300      0.8462000      0.1897000    
 C    4.412200       2.349900      -1.375300    
 C    2.379900       3.623300      -1.232700    
 C    3.221100     -0.4918000     -0.7949000    
 C    3.859900     -8.1200004E-02   1.498700    
 C   -1.922600     -0.1556000     -0.6775000    
 C    3.744000      -1.782100     -0.7096000    
 C    4.382800      -1.371600       1.583800    
 C   -3.384600     -0.3480000     -0.4451000    
 C    4.324900      -2.222100      0.4797000    
 C   -4.063900      -1.252500      -1.228900    
 C   -3.996400      0.3874000      0.5440000    
 C   -5.430100      -1.431200      -1.011700    
 C   -5.362600      0.2085000      0.7613000    
 C   -6.079500     -0.7007000     -1.6600000E-02
 C    4.742500      -4.298500     -0.6017000    
 C   -8.014000     -9.3599997E-02   1.226300    
 H    3.298100       2.355400      0.9260000    
 H   0.3893000       1.220700      -1.248800    
 H   0.7006000     -9.0499997E-02 -0.1254000    
 H  -0.1421000       3.432100       1.258900    
 H   0.1674000       3.604600     -0.3594000    
 H    1.379500       4.086600      0.9609000    
 H    1.815300       2.010700       2.779300    
 H   9.8499998E-02   1.695600       2.577500    
 H    1.246600      0.3959000       2.306000    
 H   -1.262400      0.5184000       1.229500    
 H   -1.629200       1.831900      6.3299999E-02
 H    4.909400       1.376400      -1.385800    
 H    4.602200       2.764900      -2.373000    
 H    4.935000       2.987600     -0.6516000    
 H    1.380800       3.597300      -1.663200    
 H    2.620700       4.329200     -0.4357000    
 H    2.879600       4.120100      -2.082800    
 H    2.757200     -0.1851000      -1.727400    
 H    3.918900      0.5740000       2.362000    
 H    3.661700      -2.391900      -1.602900    
 H    4.835700      -1.708100       2.512500    
 H   -3.577900      -1.830700      -2.008500    
 H   -3.479300       1.103600       1.172100    
 H   -5.983500      -2.140600      -1.620900    
 H   -5.804500      0.8077000       1.550200    
 H    5.197400      -5.263800     -0.3566000    
 H    3.699800      -4.496000     -0.8732000    
 H    5.315500      -3.877300      -1.434700    
 H   -7.957800      0.9777000       1.005400    
 H   -9.076000     -0.3586000       1.254800    
 H   -7.597300     -0.3373000       2.209400    


%chk=000018577-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018577

0 1
O -1.531155 -0.645669 -1.718416
O 5.600295 -3.250320 0.696115
O -7.735103 -0.513304 -0.072029
N 2.784086 2.223131 -1.203597
C 1.209335 1.607606 0.815587
C 2.687385 1.734345 0.214278
C 0.281187 0.830117 -0.168294
C 0.639264 3.012055 1.193325
C 1.309367 0.824069 2.160028
C 3.455900 0.405500 0.305952
C -1.210299 0.814272 0.215372
C 4.201474 2.408577 -1.608135
C 2.014833 3.431673 -1.568318
C 3.248990 -0.628497 -0.639145
C 4.398167 0.177088 1.341794
C -2.061384 -0.029183 -0.744427
C 3.936642 -1.859370 -0.551238
C 5.093604 -1.042352 1.449419
C -3.539858 -0.112385 -0.509987
C 4.858975 -2.070839 0.503869
C -4.331521 -0.892212 -1.403887
C -4.191562 0.548656 0.563234
C -5.716381 -1.006161 -1.233517
C -5.585444 0.444917 0.750702
C -6.351472 -0.336085 -0.152767
C 5.387780 -4.340265 -0.257818
C -8.450062 0.153191 1.021882
H 3.205373 2.460469 0.900111
H 0.385929 1.234268 -1.190278
H 0.632630 -0.215003 -0.233734
H -0.221051 2.901317 1.879218
H 0.296397 3.603022 0.330662
H 1.405281 3.606483 1.726758
H 2.040364 1.296735 2.843477
H 0.330969 0.825813 2.675400
H 1.617583 -0.223372 2.007827
H -1.352845 0.415198 1.240788
H -1.624775 1.842440 0.231962
H 4.770067 1.477520 -1.463675
H 4.241196 2.674103 -2.679614
H 4.713917 3.219413 -1.030001
H 0.931478 3.241781 -1.539049
H 2.236677 4.321253 -0.927105
H 2.269116 3.699315 -2.609883
H 2.568251 -0.447065 -1.477254
H 4.596359 0.968748 2.075257
H 3.748585 -2.632094 -1.303051
H 5.821820 -1.217747 2.247342
H -3.821226 -1.399935 -2.228879
H -3.614006 1.154548 1.269045
H -6.332669 -1.601508 -1.913784
H -6.058555 0.966369 1.587796
H 6.050816 -5.150953 0.078857
H 4.336359 -4.688560 -0.245616
H 5.663177 -4.036641 -1.286944
H -8.342297 1.253108 0.959068
H -9.504818 -0.125328 0.885147
H -8.093943 -0.201953 2.007969


