%chk=000072618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072618

0 1
 O   0.6141000       3.801900     -0.4866000    
 O    1.986800      0.6554000       1.717100    
 O    4.019900     -0.8253000      0.7281000    
 N   -3.290600      -1.254900      0.5455000    
 C  -0.7620000      0.5701000      0.6630000    
 C   -1.827700      0.4919000     -0.4297000    
 C   -2.173800      -1.020600     -0.3691000    
 C   -1.505400      5.1700000E-02   1.990100    
 C   -1.463700       1.143900      -1.780300    
 C  -0.3552000       2.047700      0.8174000    
 C   0.4085000     -0.3822000      0.1959000    
 C   -1.240600      -1.818500      -1.272800    
 C   -3.035800     -0.4043000       1.771200    
 C   0.1882000      -1.438200     -0.7800000    
 C  -0.1708000       1.952800      -1.781000    
 C   6.5700002E-02   2.698200     -0.4868000    
 C    1.703900     -0.2060000      0.6999000    
 C   -4.588300      -1.003500     -5.8699999E-02
 C    1.265700      -2.204500      -1.238000    
 C    2.759500     -0.9936000      0.2328000    
 C    2.545000      -1.975400     -0.7358000    
 C    4.856500      0.1135000      5.7799999E-02
 H   -2.692300       1.095100     -0.1146000    
 H   -2.845300     -0.9894000      -1.245900    
 H   -1.491100      0.8258000       2.766500    
 H  -0.9583000     -0.8102000       2.393300    
 H   -2.281900       1.832100      -2.038400    
 H   -1.445100      0.4359000      -2.612500    
 H   0.4117000       2.222500       1.572100    
 H   -1.232800       2.619300       1.152000    
 H   -1.323800      -1.635100      -2.349900    
 H   -1.391600      -2.889600      -1.091700    
 H   -3.360000     -0.9679000       2.653400    
 H   -3.646900      0.5075000       1.737700    
 H  -0.2020000       2.679400      -2.601100    
 H   0.6941000       1.307100      -1.962000    
 H   -5.378200      -1.170300      0.6830000    
 H   -4.792500      -1.707600     -0.8744000    
 H   -4.705600      1.8400000E-02 -0.4368000    
 H    1.109900      -2.995500      -1.966400    
 H    3.373300      -2.583900      -1.089700    
 H    2.924500      0.5711000       1.960400    
 H    4.399600       1.108300      5.1899999E-02
 H    5.052400     -0.2144000     -0.9681000    
 H    5.807700      0.1694000      0.5942000    


%chk=000072618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072618

0 1
O 0.848267 3.994643 -0.862795
O 1.710783 0.933079 1.760338
O 3.726933 -0.566109 1.037990
N -2.587634 -1.278842 0.489035
C -0.915562 0.980714 0.465938
C -2.116046 0.944548 -0.531573
C -2.453384 -0.539600 -0.805110
C -1.481166 0.506729 1.857928
C -1.921647 1.801181 -1.826313
C -0.424688 2.456517 0.544054
C 0.219142 0.023161 0.030093
C -1.320274 -1.174268 -1.641107
C -2.706277 -0.436619 1.698349
C 0.037522 -0.971498 -0.981156
C -0.475043 2.312338 -2.043354
C 0.065603 3.008910 -0.795225
C 1.479234 0.065992 0.676582
C -3.549892 -2.387669 0.433608
C 1.107010 -1.814628 -1.355840
C 2.550370 -0.781253 0.280152
C 2.379950 -1.720375 -0.749042
C 4.905466 -1.360240 0.695290
H -2.970690 1.388718 0.015642
H -3.406605 -0.588666 -1.385230
H -1.789035 1.390695 2.450535
H -0.679213 0.002524 2.421580
H -2.589601 2.681877 -1.772064
H -2.246444 1.232325 -2.717729
H 0.369398 2.591529 1.294548
H -1.283434 3.089213 0.859299
H -1.327142 -0.751390 -2.667333
H -1.508010 -2.258851 -1.754387
H -2.762107 -1.112405 2.572773
H -3.655845 0.160673 1.708030
H -0.411384 3.012828 -2.894881
H 0.199446 1.462556 -2.268871
H -3.463877 -3.007926 1.344527
H -3.330362 -3.036103 -0.434178
H -4.615579 -2.052219 0.344639
H 0.939489 -2.571307 -2.131264
H 3.195209 -2.378686 -1.063346
H 2.660273 0.818567 2.038122
H 5.218875 -1.171405 -0.349369
H 4.709131 -2.440446 0.837082
H 5.694539 -1.030709 1.387033


