%chk=000117281.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117281

0 1
 O   -4.980900      -2.206200      0.7509000    
 O    5.065600       1.921800       1.350100    
 N   -5.594500     -0.2304000     -0.3313000    
 N    5.536900     -2.3700001E-02  0.1484000    
 C   -6.150800      0.5648000      0.7234000    
 C    5.106200      -1.068800       1.029500    
 C   -7.013800     -0.2706000     -0.1357000    
 C    6.512800     -0.6193000       1.012800    
 C   -6.135100       2.036800      0.5561000    
 C    4.732600      -2.368300      0.4238000    
 C   -4.782000      -1.325500     -8.2400002E-02
 C    5.119200       1.289400      0.2981000    
 C   -3.567500      -1.337500     -0.9708000    
 C    4.712100       1.902700      -1.014500    
 C   -2.429000     -0.5823000     -0.2951000    
 C    3.561200       1.127100      -1.647400    
 C   -5.184900       2.724200       1.531000    
 C    3.239400      -2.657200      0.5387000    
 C   -1.187000     -0.5356000      -1.185400    
 C    2.319700       1.082900     -0.7512000    
 C  -5.5300001E-02  0.2507000     -0.5217000    
 C    1.175200      0.3251000      -1.427300    
 H   -5.962900      0.2236000       1.733200    
 H    4.490400     -0.7679000       1.867200    
 H   -7.565900      0.1811000     -0.9473000    
 H   -7.404400      -1.199800      0.2546000    
 H    7.256200      -1.194000      0.4793000    
 H    6.873700      1.1600000E-02   1.812700    
 H   -5.861500       2.319200     -0.4681000    
 H   -7.145600       2.425300      0.7307000    
 H    5.025000      -2.415300     -0.6325000    
 H    5.277200      -3.169400      0.9378000    
 H   -3.812800     -0.8839000      -1.938300    
 H   -3.286800      -2.379500      -1.162000    
 H    4.421500       2.945300     -0.8432000    
 H    5.578800       1.906800      -1.685000    
 H   -2.749800      0.4400000     -5.8699999E-02
 H   -2.183400      -1.060700      0.6613000    
 H    3.874000      0.1045000      -1.890600    
 H    3.302700       1.606600      -2.599600    
 H   -4.158400       2.371100       1.387300    
 H   -5.201700       3.807900       1.380100    
 H   -5.469600       2.517600       2.568000    
 H    2.652800      -1.892000      2.5800001E-02
 H    3.004000      -3.627800      9.1799997E-02
 H    2.923100      -2.676800       1.586800    
 H  -0.8497000      -1.556900      -1.400600    
 H   -1.441600     -6.9899999E-02  -2.145300    
 H    2.551700      0.6006000      0.2045000    
 H    1.996500       2.106200     -0.5238000    
 H  -0.3986000       1.265400     -0.2866000    
 H   0.2140000     -0.2281000      0.4278000    
 H    1.503300     -0.6879000      -1.688100    
 H   0.9090000      0.8263000      -2.366000    


%chk=000117281-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117281

0 1
O -5.324827 -0.459438 2.502004
O 4.701302 -0.139972 2.337293
N -6.681448 0.308410 0.766274
N 6.184683 -1.097861 0.814821
C -7.194517 1.610923 0.245539
C 6.226064 -2.181005 -0.213133
C -7.805835 0.940378 1.488928
C 6.312471 -2.489198 1.293622
C -7.907129 1.624020 -1.098214
C 7.439722 -2.275295 -1.125021
C -5.432685 -0.037917 1.314343
C 5.180079 -0.178699 1.165650
C -4.263034 0.011401 0.327905
C 4.778468 0.797334 0.059978
C -2.907332 0.283493 1.015011
C 3.390961 0.461313 -0.564414
C -6.928813 1.669522 -2.292827
C 7.353340 -1.324796 -2.339986
C -1.716567 0.157161 0.039794
C 2.200369 0.626824 0.406130
C -0.354859 0.456662 0.706062
C 0.843247 0.302975 -0.257994
H -6.552626 2.483613 0.444808
H 5.262377 -2.415852 -0.691244
H -8.777524 0.442433 1.397238
H -7.585341 1.358546 2.478673
H 7.283469 -2.764257 1.720248
H 5.440753 -2.923208 1.798507
H -8.545007 0.722945 -1.170361
H -8.581403 2.503389 -1.126146
H 8.347731 -2.048816 -0.535054
H 7.530646 -3.324145 -1.472274
H -4.467351 0.755523 -0.465629
H -4.224275 -0.976387 -0.177266
H 4.730527 1.807740 0.507163
H 5.551980 0.805216 -0.728536
H -2.915818 1.298068 1.462261
H -2.790295 -0.423823 1.856860
H 3.401208 -0.573682 -0.966479
H 3.243414 1.129159 -1.437385
H -6.275942 0.778047 -2.294505
H -7.475943 1.691530 -3.252300
H -6.284012 2.567738 -2.252200
H 7.319389 -0.270988 -2.009300
H 8.231387 -1.444143 -2.999677
H 6.447892 -1.524346 -2.943539
H -1.698657 -0.869607 -0.383455
H -1.861437 0.845184 -0.820082
H 2.350456 -0.014978 1.294368
H 2.185686 1.669610 0.785115
H -0.365339 1.488368 1.115388
H -0.214960 -0.218860 1.574765
H 0.863110 -0.735868 -0.651052
H 0.693546 0.964915 -1.137477


