%chk=000121754.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121754

0 1
 O   -7.974700       2.457300      0.9646000    
 O   -1.651900      -1.170900       1.531500    
 O  -0.9535000      -4.006900       1.903600    
 O    6.124900      -1.725200     -0.2636000    
 O    4.011100       4.136000      0.1244000    
 O    7.036900      0.2994000     -0.8705000    
 O    2.018700       3.722200       1.200600    
 N   -5.928100       1.268900       1.094600    
 N   -7.082800       1.238200     -0.8624000    
 N   -2.334000      -1.562300     -0.6857000    
 N   0.8923000      -1.630000      0.3352000    
 N    1.218000      -1.051500     -0.7218000    
 C   -5.216500      0.4978000      0.1754000    
 C   -5.923700      0.4790000      -1.023000    
 C   -3.541500     -0.8679000     -0.7796000    
 C   -4.020800     -0.1660000      0.3310000    
 C   -5.472500     -0.2046000      -2.129200    
 C   -4.259200     -0.8871000      -1.995800    
 C   -7.111500       1.749400      0.4660000    
 C  -0.2560000      -2.517000      0.1314000    
 C   -1.481900      -1.670700      0.4222000    
 C  -0.1034000      -3.702200       1.067400    
 C    2.319000     -0.2130000     -0.4799000    
 C    4.709000      0.1273000     -0.3845000    
 C    3.208100       1.943900      0.1479000    
 C    2.115000       1.111600     -9.3099996E-02
 C    3.616000     -0.7051000     -0.6256000    
 C    4.505000       1.451800      2.2000000E-03
 C    1.157000      -4.517100      0.9179000    
 C    6.061100     -0.3859000     -0.5368000    
 C    2.995100       3.325000      0.5512000    
 C    7.408600      -2.348400     -0.3778000    
 C    3.916100       5.524100      0.4621000    
 H   -3.532800     -0.1019000       1.290600    
 H   -6.023700     -0.2187000      -3.061700    
 H   -5.638800       1.449200       2.048000    
 H   -3.871700      -1.438700      -2.849900    
 H   -7.779800       1.392200      -1.580400    
 H   -2.051100      -2.044100      -1.536000    
 H  -0.2852000      -2.921300     -0.8886000    
 H    1.100600       1.489400      1.5300000E-02
 H    3.753900      -1.737100     -0.9403000    
 H    5.365600       2.086000      0.2027000    
 H    2.016600      -3.944700       1.273800    
 H    1.072500      -5.433300       1.509500    
 H    1.294800      -4.794600     -0.1303000    
 H    7.296300      -3.407300     -0.1304000    
 H    8.112100      -1.894300      0.3262000    
 H    7.778900      -2.263200      -1.403700    
 H    4.793000       6.034300      5.4900002E-02
 H    3.908900       5.647800       1.549000    
 H    3.016300       5.959400      1.7400000E-02


%chk=000121754-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121754

0 1
O -7.975054 0.828578 -2.625491
O -2.791711 -1.670719 2.221263
O -0.617517 -3.978613 3.867538
O 3.797495 -0.593009 -3.454361
O 5.437130 2.945388 1.596356
O 5.391425 1.041454 -2.984314
O 3.970079 2.232763 3.261204
N -6.284061 -0.002891 -1.130551
N -5.695233 0.389726 -3.250081
N -1.672653 -1.552228 0.148410
N 0.699995 -1.407157 1.895437
N 1.163057 -1.412010 0.678426
C -4.922720 -0.333978 -1.235721
C -4.545836 -0.082756 -2.592502
C -2.683767 -1.053135 -0.725428
C -4.015130 -0.817859 -0.283066
C -3.230044 -0.318242 -3.022265
C -2.302651 -0.806191 -2.074599
C -6.804262 0.453555 -2.368195
C -0.409966 -2.386627 2.067843
C -1.764312 -1.815528 1.497799
C -0.564389 -2.762168 3.560875
C 2.246979 -0.499479 0.427353
C 3.843334 0.318353 -1.239571
C 3.855338 1.238486 1.033315
C 2.787619 0.388097 1.392572
C 2.772307 -0.535520 -0.885725
C 4.386249 1.206228 -0.280912
C -0.654837 -1.633035 4.557968
C 4.436733 0.318611 -2.611940
C 4.394352 2.160754 2.083008
C 4.329696 -0.662457 -4.837125
C 6.035517 3.891136 2.569951
H -4.292278 -1.011448 0.754677
H -2.920457 -0.132803 -4.055177
H -6.864109 -0.066504 -0.297011
H -1.269014 -0.996639 -2.386562
H -5.775331 0.663317 -4.226465
H -0.730357 -1.674239 -0.255999
H -0.198276 -3.313827 1.497153
H 2.383330 0.417210 2.408926
H 2.352243 -1.230172 -1.617847
H 5.214556 1.862798 -0.560707
H -1.610118 -1.099003 4.392943
H -0.624536 -2.026413 5.584876
H 0.160900 -0.907416 4.391874
H 3.714355 -1.423302 -5.336595
H 5.392375 -0.956244 -4.820510
H 4.232474 0.318688 -5.331086
H 6.820507 4.412969 2.005954
H 6.457709 3.337669 3.425179
H 5.269166 4.595030 2.934908


