%chk=000018442.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018442

0 1
 O  -0.2679000      0.4579000      -1.764300    
 O    1.758100      0.5670000     -0.1161000    
 O   0.3594000       2.014500      0.9959000    
 N    5.336900       1.299800      0.3891000    
 C  -0.5827000      0.1821000     -0.3696000    
 C  -0.3308000      -1.319300     -0.1081000    
 C   -1.976700      0.5886000     -2.8600000E-02
 C   0.5325000       1.049600      0.2609000    
 C   0.1250000      -1.690400       1.128500    
 C   -2.978800      0.5241000     -0.9968000    
 C  -0.5761000      -2.200700      -1.126700    
 C   -2.278200       1.033800       1.258600    
 C    2.889400       1.269200      0.4083000    
 C   0.3528000      -3.046300       1.364200    
 C   -4.282300      0.9045000     -0.6777000    
 C  -0.3485000      -3.556500     -0.8907000    
 C   -3.581600       1.414300       1.577600    
 C  -0.3956000       1.835500      -2.029100    
 C    4.157200      0.6063000     -0.1061000    
 C   0.1160000      -3.979200      0.3545000    
 C   -4.583600       1.349700      0.6095000    
 C    6.555600      0.6955000     -0.1333000    
 H   0.3007000     -0.9817000       1.930700    
 H   -2.777400      0.1653000      -2.002400    
 H  -0.9483000      -1.893200      -2.098100    
 H   -1.539300       1.050800       2.053500    
 H    2.857900       1.233300       1.504100    
 H    2.846600       2.314800      7.9899997E-02
 H   0.7110000      -3.376100       2.335000    
 H   -5.063800      0.8500000      -1.429900    
 H  -0.5355000      -4.283400      -1.675700    
 H   -3.819300       1.749600       2.582900    
 H   0.5856000       2.320000      -1.968500    
 H  -0.7136000       1.937300      -3.072500    
 H   -1.107200       2.404100      -1.423400    
 H    4.137200      0.6113000      -1.203300    
 H    4.163800     -0.4472000      0.2009000    
 H   0.2919000      -5.035000      0.5387000    
 H   -5.599400       1.642300      0.8589000    
 H    5.352100       1.266900       1.408000    
 H    7.424600       1.239700      0.2491000    
 H    6.588200      0.7502000      -1.226300    
 H    6.649900     -0.3503000      0.1767000    


%chk=000018442-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018442

0 1
O -0.742135 0.621925 -2.101831
O 1.779499 0.546026 -0.100166
O 0.570797 2.524154 -0.103191
N 5.405270 1.032775 0.615454
C -0.599113 0.382617 -0.630183
C -0.281879 -1.117810 -0.490518
C -1.905022 0.734531 0.104892
C 0.607945 1.272755 -0.217938
C -0.379273 -1.738216 0.779252
C -3.080174 0.061524 -0.325468
C 0.132013 -1.883329 -1.605178
C -1.998614 1.659382 1.171986
C 3.027132 1.334693 0.127426
C -0.065283 -3.105410 0.933395
C -4.320826 0.308691 0.294632
C 0.436985 -3.254778 -1.452169
C -3.242991 1.898570 1.802744
C -1.245292 1.947079 -2.507359
C 4.144291 0.312151 0.351994
C 0.344068 -3.870945 -0.183474
C -4.406900 1.228753 1.367603
C 6.620776 0.199060 0.567391
H -0.710496 -1.155675 1.646791
H -3.007726 -0.656630 -1.149959
H 0.203162 -1.399595 -2.582186
H -1.114467 2.210631 1.502660
H 2.875258 1.995368 1.002198
H 3.225994 1.964150 -0.756513
H -0.145404 -3.574032 1.920924
H -5.217523 -0.217468 -0.051537
H 0.750309 -3.840791 -2.323931
H -3.299968 2.615905 2.629219
H -0.566772 2.756334 -2.182075
H -1.283503 1.898940 -3.607166
H -2.257241 2.133000 -2.102441
H 4.271842 -0.289617 -0.566626
H 3.842162 -0.394690 1.161945
H 0.582731 -4.934236 -0.065914
H -5.369289 1.419340 1.855854
H 5.354489 1.593630 1.475853
H 7.505344 0.823392 0.784690
H 6.745337 -0.211112 -0.451691
H 6.620289 -0.662338 1.278912


