%chk=000078574.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078574

1 1
 O    3.130800      -3.753100     -0.2427000    
 O    2.207300       1.112400     -0.6773000    
 O   -3.169400     -0.1137000     -0.7509000    
 N    1.385400      -1.554000     -0.3710000    
 N   -2.335900       2.533200      -1.053400    
 N   -3.061400       3.337200      -1.187400    
 C    1.021700      -2.744400      0.4054000    
 C    2.377000      -1.778100      -1.432000    
 C   0.4565000     -0.5226000     -0.5428000    
 C    2.284200      -3.462600      0.8688000    
 C    3.567200      -2.547500     -0.8702000    
 C   0.8812000      0.7976000     -0.6937000    
 C  -0.9053000     -0.8236000     -0.5625000    
 C   -1.842500      0.1953000     -0.7333000    
 C  -5.5900000E-02   1.816900     -0.8640000    
 C   -1.417800       1.515500     -0.8840000    
 C    2.646000       2.014100      0.3364000    
 C    4.096700       1.703600      0.6765000    
 C   -3.705600     -0.7346000      0.4156000    
 C   -5.175000     -0.3577000      0.5420000    
 C    4.628700       2.624500       1.770900    
 C   -5.810900     -0.9775000       1.783100    
 C    6.063900       2.282900       2.137800    
 C   -7.266600     -0.5637000       1.928800    
 H   0.4265000      -2.478800       1.287000    
 H   0.4339000      -3.422200     -0.2259000    
 H    1.900700      -2.371800      -2.222800    
 H    2.739500     -0.8567000      -1.895500    
 H    2.020100      -4.410700       1.348100    
 H    2.838200      -2.863200       1.601500    
 H    4.129400      -1.942400     -0.1486000    
 H    4.251500      -2.819700      -1.679900    
 H   -1.257300      -1.847500     -0.4720000    
 H   0.2680000       2.847000     -0.9908000    
 H    2.557200       3.039500     -3.9900001E-02
 H    2.027500       1.915000       1.238000    
 H    4.710900       1.792200     -0.2283000    
 H    4.176700      0.6552000      0.9909000    
 H   -3.163400     -0.4087000       1.312700    
 H   -3.601300      -1.821200      0.3173000    
 H   -5.265400      0.7354000      0.5753000    
 H   -5.712300     -0.6753000     -0.3603000    
 H    4.579600       3.667200       1.436300    
 H    4.001400       2.541000       2.666200    
 H   -5.749900      -2.070400       1.726200    
 H   -5.260000     -0.6679000       2.678800    
 H    6.140200       1.255800       2.509000    
 H    6.425000       2.955400       2.922200    
 H    6.725000       2.385400       1.271300    
 H   -7.854000     -0.8847000       1.062600    
 H   -7.702600      -1.019900       2.823000    
 H   -7.358100      0.5231000       2.022900    


%chk=000078574-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000078574

1 1
O 2.872131 -3.965620 0.321692
O 2.396506 0.831708 0.181908
O -3.215446 0.570712 0.521727
N 1.109706 -1.681283 -0.041909
N -1.970983 2.922132 0.658923
N -2.665419 3.854468 0.805256
C 0.562946 -3.023961 0.306267
C 2.409165 -1.799788 -0.776257
C 0.380066 -0.527720 0.123195
C 1.634067 -3.831311 1.085375
C 3.421446 -2.634127 0.030630
C 1.008304 0.801931 0.206829
C -1.048767 -0.598263 0.259326
C -1.847039 0.535848 0.432267
C 0.226022 1.939202 0.379189
C -1.200121 1.827664 0.492225
C 3.095046 2.136549 0.381171
C 4.597830 1.862940 0.351993
C -3.994086 -0.710933 0.478478
C -5.469240 -0.354601 0.642602
C 5.412761 3.159445 0.589868
C -6.357870 -1.623972 0.610833
C 6.933984 2.900839 0.555440
C -7.855222 -1.284794 0.770468
H -0.324440 -2.926221 0.950596
H 0.287930 -3.565990 -0.619622
H 2.187762 -2.328739 -1.724855
H 2.813096 -0.806048 -0.996515
H 1.270544 -4.856468 1.260386
H 1.831521 -3.338007 2.061154
H 3.687530 -2.110808 0.972517
H 4.331028 -2.809940 -0.564415
H -1.542429 -1.563276 0.142745
H 0.683000 2.926400 0.469217
H 2.794527 2.827298 -0.432513
H 2.780147 2.555465 1.358617
H 4.875284 1.426339 -0.626536
H 4.849292 1.117806 1.130631
H -3.635149 -1.359345 1.302152
H -3.798877 -1.198569 -0.497065
H -5.614359 0.179506 1.600287
H -5.772730 0.334286 -0.167815
H 5.149239 3.911638 -0.180765
H 5.135017 3.597761 1.569490
H -6.202516 -2.163854 -0.345113
H -6.049031 -2.315595 1.420648
H 7.234679 2.180458 1.338323
H 7.498218 3.834611 0.723673
H 7.247303 2.489981 -0.422010
H -8.203348 -0.621023 -0.041988
H -8.472816 -2.199493 0.745218
H -8.048904 -0.774038 1.731463


