%chk=000017918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017918

0 1
 O   -1.003800       1.145000      0.5473000    
 O    1.224300      0.5528000       1.893600    
 O   0.5432000       2.227300     -0.7656000    
 N   -4.047800      0.2223000     -0.9886000    
 C   -3.869800      0.3598000      0.4568000    
 C   -3.322700       1.747100      0.8231000    
 C    1.206100      0.2321000      0.4875000    
 C   -1.995900       2.083000      0.1476000    
 C   -5.213300      0.1178000       1.143200    
 C   0.6392000      -1.175300      0.2881000    
 C    2.615900      0.3408000     -9.8499998E-02
 C   0.2482000       1.327600      1.2100000E-02
 C   -5.023600       1.195300      -1.477800    
 C   -4.468600      -1.137200      -1.324600    
 C   0.8626000      -2.119500       1.263700    
 C    2.754900      0.7261000      -1.412000    
 C  -7.2499998E-02  -1.442400     -0.8587000    
 C    3.689800      4.9400002E-02  0.7107000    
 C   0.3457000      -3.402300       1.082200    
 C    4.039600      0.8253000      -1.946100    
 C  -0.5894000      -2.725300      -1.040100    
 C    4.974400      0.1489000      0.1765000    
 C    1.694200       1.869700       2.100900    
 C  -0.3802000      -3.705100     -6.9499999E-02
 C    5.149300      0.5369000      -1.152000    
 H   -3.152600     -0.3929000      0.8098000    
 H   -4.047800       2.546400      0.6369000    
 H   -3.153900       1.753100       1.909200    
 H   -1.683100       3.085000      0.4648000    
 H   -2.095000       2.081700     -0.9434000    
 H   -5.963400      0.8889000      0.9434000    
 H   -5.056500      0.1453000       2.229900    
 H   -5.647100     -0.8659000      0.9456000    
 H   -4.733900       2.233600      -1.296900    
 H   -6.047500       1.037000      -1.125400    
 H   -5.070700       1.115300      -2.571900    
 H   -4.362000      -1.287000      -2.405600    
 H   -5.511900      -1.360600      -1.078800    
 H   -3.823600      -1.886000     -0.8510000    
 H    1.432300      -1.908100       2.162800    
 H    1.917600      0.8964000      -2.079100    
 H  -0.2374000     -0.6984000      -1.631400    
 H    3.579600     -0.2741000       1.740800    
 H   0.5103000      -4.166000       1.836600    
 H    4.175700       1.112600      -2.984700    
 H   -1.153400      -2.961600      -1.937600    
 H    5.838500     -8.1100002E-02  0.7930000    
 H   0.8431000       2.552500       2.202900    
 H    2.206600       1.882500       3.068900    
 H    2.389300       2.283000       1.364400    
 H  -0.7822000      -4.704100     -0.2112000    
 H    6.149400      0.6097000      -1.569200    


%chk=000017918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017918

0 1
O -1.106748 1.071372 0.751978
O 1.746431 0.756178 2.143313
O 0.419004 2.705636 0.133929
N -3.976548 0.580182 -1.338913
C -3.832815 0.127113 0.077286
C -3.499261 1.324378 1.005808
C 1.241828 0.434559 0.772565
C -2.226220 2.057129 0.591548
C -5.040741 -0.677573 0.630777
C 0.611242 -0.966167 0.888549
C 2.398332 0.427811 -0.243159
C 0.167268 1.523338 0.478532
C -5.207062 1.332383 -1.650194
C -3.707610 -0.479217 -2.330261
C 0.257218 -1.503696 2.148172
C 2.373481 1.113117 -1.480999
C 0.345410 -1.715478 -0.283887
C 3.534713 -0.358884 0.084207
C -0.351541 -2.776077 2.233118
C 3.463850 1.008118 -2.377112
C -0.271844 -2.982490 -0.199244
C 4.624839 -0.455128 -0.803661
C 2.523545 2.001685 2.278439
C -0.623368 -3.519188 1.061448
C 4.592104 0.227742 -2.043562
H -2.946867 -0.536678 0.089399
H -4.333274 2.054689 1.010374
H -3.392247 0.953218 2.042619
H -2.006660 2.937729 1.221531
H -2.265946 2.353533 -0.471002
H -5.934629 -0.038321 0.757944
H -4.791565 -1.109866 1.617222
H -5.308307 -1.512576 -0.042673
H -5.348282 2.157373 -0.930054
H -6.134831 0.708484 -1.644159
H -5.113521 1.780523 -2.656791
H -3.637961 -0.031370 -3.339353
H -4.492263 -1.276650 -2.370658
H -2.740723 -0.962420 -2.101972
H 0.468113 -0.921949 3.048657
H 1.520620 1.744002 -1.745454
H 0.631041 -1.314628 -1.263206
H 3.550776 -0.891768 1.041692
H -0.615648 -3.186151 3.214812
H 3.431063 1.544157 -3.332353
H -0.468426 -3.554107 -1.113618
H 5.494769 -1.064881 -0.534756
H 1.915678 2.891160 2.031838
H 2.821142 2.024886 3.338797
H 3.422330 1.986622 1.634350
H -1.095659 -4.505964 1.129302
H 5.435969 0.151412 -2.738567


