%chk=000130721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130721

0 1
 O    7.895400       2.093900      -1.396200    
 O    4.301900       1.464600       2.082100    
 O    5.884300       1.779900      -2.399900    
 O    7.487200      -3.584600     -0.9966000    
 O   -6.777200       2.360400      0.4368000    
 O    8.239500      -2.629700      0.9190000    
 N    4.740000      0.9123000     -0.1269000    
 N   -1.578900      3.0300001E-02  0.1621000    
 N   -7.701300      -1.332000     -0.8210000    
 N   -8.333900      0.9377000     -0.4609000    
 C    6.168800       1.122600     -7.2099999E-02
 C    6.936400     -0.1342000      0.3558000    
 C   -3.849000     -0.6310000      0.6833000    
 C   -2.480100     -0.3750000       1.218600    
 C    6.815900      -1.342400     -0.5817000    
 C   -6.059000      0.1560000      0.1236000    
 C   -6.413000      -1.124100     -0.3245000    
 C   -4.779800      0.4063000      0.6274000    
 C  -0.2343000      0.2922000      0.3602000    
 C    2.475200      0.8223000      0.7595000    
 C   -4.193700      -1.908100      0.2396000    
 C    3.887800       1.099200      0.9676000    
 C   -5.472200      -2.155300     -0.2635000    
 C    6.602300       1.676700      -1.413600    
 C   0.3199000      0.1696000       1.634300    
 C   0.5663000      0.6799000     -0.7143000    
 C    1.674700      0.4347000       1.834000    
 C    1.921000      0.9450000     -0.5146000    
 C   -7.081800       1.237400      4.6700001E-02
 C   -8.583400     -0.2775000     -0.8545000    
 C    7.580800      -2.559800     -0.1092000    
 C   -9.959500     -0.5671000      -1.401100    
 H    6.351000       1.912800      0.6672000    
 H    8.000100      0.1159000      0.4627000    
 H    6.595900     -0.4341000       1.355800    
 H   -2.115300      -1.287700       1.707700    
 H   -2.534300      0.3997000       1.994500    
 H    7.198500      -1.075800      -1.573100    
 H    5.763500      -1.631800     -0.6768000    
 H    4.370000      0.5358000     -0.9936000    
 H   -4.503400       1.399000      0.9729000    
 H   -1.944000      0.1377000     -0.7785000    
 H   -3.473400      -2.721300      0.2777000    
 H   -5.726100      -3.155000     -0.6063000    
 H   -7.955800      -2.257700      -1.144100    
 H  -0.2655000     -0.1280000       2.499100    
 H   0.1454000      0.7861000      -1.711100    
 H    2.088500      0.3295000       2.833700    
 H    2.500400       1.274400      -1.372200    
 H   -9.873600     -0.9062000      -2.437300    
 H   -10.58740      0.3275000      -1.368300    
 H   -10.42870      -1.355300     -0.8054000    
 H    8.170500       2.467300      -2.260500    
 H    7.996400      -4.369900     -0.7028000    


%chk=000130721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130721

0 1
O 8.333617 1.958929 -0.827140
O 4.515338 0.600036 2.207074
O 6.371780 2.007528 -2.067051
O 7.357205 -3.594445 -1.560622
O -7.610640 2.265764 0.730574
O 8.002973 -3.134618 0.621527
N 4.931784 0.863498 -0.054300
N -1.609348 0.442661 0.056778
N -7.688835 -1.513516 -0.820252
N -8.835021 0.511243 -0.231817
C 6.374659 0.971515 0.179619
C 7.064227 -0.404618 0.434693
C -3.972110 -0.028529 0.579825
C -2.640720 0.492597 1.103190
C 6.885239 -1.384410 -0.736840
C -6.383280 0.258069 0.181986
C -6.440904 -1.053810 -0.368332
C -5.139705 0.753308 0.647858
C -0.238836 0.525501 0.294745
C 2.598370 0.639024 0.710654
C -4.053963 -1.339485 0.023026
C 4.060155 0.696710 1.017797
C -5.271111 -1.854075 -0.449354
C 6.981709 1.692268 -1.017819
C 0.304295 0.619410 1.612695
C 0.669003 0.496006 -0.809592
C 1.694339 0.665890 1.803860
C 2.054727 0.553319 -0.602221
C -7.622418 1.093836 0.257386
C -8.831842 -0.715677 -0.731064
C 7.474270 -2.749094 -0.442984
C -10.112954 -1.330801 -1.244525
H 6.547644 1.582025 1.088374
H 8.135523 -0.230427 0.635321
H 6.620329 -0.822440 1.353788
H -2.305803 -0.138826 1.950753
H -2.771621 1.521123 1.502347
H 7.350635 -1.012212 -1.670481
H 5.810702 -1.520777 -0.967511
H 4.600493 1.119334 -0.988077
H -5.128756 1.768419 1.061096
H -1.932563 0.540660 -0.906493
H -3.146314 -1.951234 -0.031640
H -5.319923 -2.865626 -0.869686
H -7.763265 -2.452078 -1.217706
H -0.356202 0.671667 2.483168
H 0.273342 0.416242 -1.829855
H 2.118263 0.730875 2.811598
H 2.705767 0.502720 -1.483296
H -10.029670 -1.609118 -2.311997
H -10.920394 -0.594573 -1.132723
H -10.380840 -2.240325 -0.674361
H 8.699893 2.427838 -1.625278
H 7.743757 -4.484202 -1.335413


