%chk=000060715.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060715

0 1
 O   -2.013500     -0.7021000      -1.706200    
 O  -0.9445000       4.090500      -1.784600    
 O   0.7952000      -4.027300      -1.976800    
 O    4.027100      0.8917000      -2.030200    
 O  -0.8525000       1.830000      -1.574800    
 O   0.6491000      -1.778100      -1.689900    
 O    1.781400      0.8118000      -1.694800    
 N   -2.027600     -0.1289000       1.104600    
 N  -2.8800000E-02   2.087500       1.037000    
 N   0.1832000      -2.132800      0.9977000    
 N    2.180700      8.3300002E-02  0.9275000    
 C   -1.918100      0.8903000       2.168900    
 C   -2.158500      -1.484400       1.671600    
 C   -1.353700       2.235000       1.668300    
 C  -0.8001000      -2.075300       2.099300    
 C    1.044100       2.014500       2.050600    
 C    1.556600      -2.289100       1.512300    
 C    2.360900       1.430200       1.500900    
 C    2.162400     -0.9515000       1.982200    
 C   -3.164900      0.1535000      0.2232000    
 C   -3.227600     -0.8110000     -0.9637000    
 C   0.2046000       3.196300      0.1061000    
 C  -0.1291000      -3.226700      7.2600000E-02
 C    3.237100     -0.1859000     -5.2900001E-02
 C   -4.378500     -0.5131000      -1.916200    
 C  -0.5868000       2.946400      -1.147800    
 C   0.4823000      -2.914500      -1.265400    
 C    2.919400      0.5597000      -1.319500    
 H   -2.896800       1.063000       2.636500    
 H   -1.269500      0.5324000       2.974900    
 H   -2.821500      -1.455900       2.547900    
 H   -2.623100      -2.215600       1.014300    
 H   -1.301600       2.941500       2.507900    
 H   -2.080700       2.671300      0.9736000    
 H  -0.9578000      -3.076900       2.521900    
 H  -0.4132000      -1.469000       2.924700    
 H    1.239400       3.010900       2.469600    
 H   0.7287000       1.397500       2.898100    
 H    1.577100      -3.009100       2.341600    
 H    2.216100      -2.714600      0.7470000    
 H    3.110800       1.408200       2.303300    
 H    2.760600       2.128500      0.7568000    
 H    3.179300      -1.129200       2.357400    
 H    1.587400     -0.6058000       2.847200    
 H   -4.109500      0.1100000      0.7812000    
 H   -3.077700       1.166300     -0.1830000    
 H   -3.347900      -1.855500     -0.6739000    
 H  -7.9800002E-02   4.157300      0.5517000    
 H    1.247900       3.269900     -0.2147000    
 H   0.2394000      -4.188500      0.4488000    
 H   -1.201600      -3.331700     -0.1162000    
 H    4.221100      0.1117000      0.3290000    
 H    3.291900      -1.240000     -0.3402000    
 H   -4.374000      -1.211600      -2.760200    
 H   -5.343400     -0.5893000      -1.406000    
 H   -4.283800      0.4924000      -2.340700    
 H   -2.055000      -1.342600      -2.436700    
 H   -1.444400       3.909000      -2.609000    
 H    1.176000      -3.805800      -2.853300    
 H    3.801200       1.361400      -2.861200    


%chk=000060715-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060715

0 1
O -2.982451 -1.915490 -1.339568
O -0.121255 3.966381 -2.217807
O 0.274303 -2.999935 -2.626191
O 4.782268 0.288102 -1.801412
O -1.541858 2.227732 -1.657982
O 1.898578 -1.733336 -1.573827
O 2.994927 1.696175 -1.388234
N -2.266878 -0.342647 1.107025
N -0.071197 1.991048 0.941148
N 0.317708 -2.009093 0.959316
N 2.530945 0.220290 1.141521
C -2.004807 0.746410 2.053638
C -2.141681 -1.697158 1.654337
C -1.461316 2.066801 1.444596
C -0.691654 -2.114411 2.024610
C 0.914595 1.978123 2.040731
C 1.695014 -2.171699 1.452656
C 2.368465 1.578427 1.687695
C 2.278416 -0.880603 2.088398
C -3.343401 -0.015286 0.147144
C -4.025476 -1.186071 -0.576869
C 0.281562 2.967262 -0.093686
C -0.053657 -2.665842 -0.289282
C 3.715038 0.006036 0.317499
C -5.124264 -0.671778 -1.524126
C -0.575107 2.955617 -1.347002
C 0.830675 -2.376164 -1.488335
C 3.728110 0.760727 -1.004431
H -2.943225 1.030137 2.609524
H -1.295922 0.382425 2.818013
H -2.746382 -1.858529 2.588786
H -2.527100 -2.411723 0.909790
H -1.567129 2.856403 2.238237
H -2.117627 2.363381 0.611828
H -0.768978 -3.165799 2.424491
H -0.341967 -1.499228 2.875584
H 0.984576 2.988710 2.536043
H 0.535893 1.291374 2.818322
H 1.765319 -2.979058 2.229260
H 2.341097 -2.484284 0.616133
H 2.962791 1.727909 2.630222
H 2.777464 2.291745 0.952588
H 3.210473 -1.170344 2.644949
H 1.570185 -0.517142 2.853524
H -4.172623 0.536078 0.668095
H -2.931498 0.662170 -0.625555
H -4.480167 -1.884404 0.161156
H 0.287954 4.030778 0.271007
H 1.305613 2.753259 -0.454709
H -0.109304 -3.788114 -0.220372
H -1.065713 -2.331200 -0.593001
H 4.683053 0.258494 0.831561
H 3.781762 -1.059642 0.044801
H -5.617142 -1.510272 -2.053638
H -5.906531 -0.126624 -0.965280
H -4.690801 0.011368 -2.276238
H -3.412035 -2.500258 -2.013403
H -0.658794 3.927017 -3.054516
H 0.853252 -2.792882 -3.408936
H 4.783401 0.788837 -2.661527


