%chk=000018376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018376

0 1
 O  -0.6561000      0.2478000     -0.9650000    
 O   0.8423000      0.7138000       1.196600    
 O    1.060300       1.436500      -1.928800    
 N   -4.831200      5.7100002E-02 -0.1116000    
 C   -3.473400      0.5545000     -0.3725000    
 C   -3.651200       2.072300     -0.2949000    
 C   -4.870800       2.289600      0.5941000    
 C   -5.337300      0.8952000      0.9782000    
 C   -2.918300      0.1189000      -1.722800    
 C   -4.870500      -1.357300      0.2397000    
 C   -1.540700      0.7057000      -1.978200    
 C   -6.289100      -1.808300      0.5433000    
 C    1.496100      9.3900003E-02  7.0500001E-02
 C   0.6422000      0.6910000      -1.051000    
 C    1.360100      -1.427100      0.1703000    
 C    2.968700      0.5082000      1.9500000E-02
 C    1.318400      -2.043100       1.421100    
 C    3.619600      0.6197000      -1.209300    
 C    1.277500      -2.197600     -0.9896000    
 C    3.659900      0.7746000       1.201500    
 C   0.9073000       2.122700       1.100200    
 C    1.194300      -3.429400       1.512200    
 C    4.961500      0.9972000      -1.256100    
 C    1.153300      -3.584000     -0.8985000    
 C    5.001900       1.152300       1.154600    
 C   0.2111000       2.731700       2.298600    
 C    1.111700      -4.199800      0.3524000    
 C    5.652500       1.263600     -7.4299999E-02
 H   -2.800600      0.2393000      0.4378000    
 H   -2.764600       2.555100      0.1307000    
 H   -3.838400       2.521500      -1.277800    
 H   -5.649000       2.819100      3.1700000E-02
 H   -4.627600       2.889800       1.476800    
 H   -6.428300      0.8711000       1.062800    
 H   -4.901200      0.6147000       1.945800    
 H   -3.595200      0.4133000      -2.534000    
 H   -2.837100     -0.9742000      -1.749000    
 H   -4.507300      -1.957500     -0.6017000    
 H   -4.225500      -1.581400       1.098700    
 H   -1.179400      0.3583000      -2.953300    
 H   -1.566200       1.800800      -1.989200    
 H   -6.668500      -1.386100       1.479000    
 H   -6.977000      -1.540900     -0.2662000    
 H   -6.314800      -2.898300      0.6504000    
 H    1.389100      -1.465600       2.338600    
 H    3.135900      0.3658000      -2.147100    
 H    1.319100      -1.742500      -1.975300    
 H    3.185600      0.6735000       2.173900    
 H    1.920700       2.528400       1.075900    
 H   0.3651000       2.522700      0.2377000    
 H    1.163900      -3.909300       2.486000    
 H    5.472500       1.070700      -2.211700    
 H    1.091500      -4.184400      -1.801400    
 H    5.542000       1.354000       2.074900    
 H  -0.8308000       2.397600       2.351200    
 H   0.6956000       2.412800       3.227600    
 H   0.2277000       3.824500       2.251100    
 H    1.016100      -5.279300      0.4233000    
 H    6.698600       1.553500     -0.1104000    


%chk=000018376-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018376

0 1
O -0.693113 0.846792 -0.854865
O 1.477741 1.569727 1.434211
O 0.881634 2.450578 -1.424486
N -4.636896 -0.631348 -0.398600
C -3.604108 0.457786 -0.318495
C -4.370991 1.705572 0.226706
C -5.867269 1.285061 0.239213
C -5.787899 -0.238713 0.451631
C -2.957768 0.672999 -1.708247
C -4.099179 -1.987581 -0.155572
C -1.716240 1.563527 -1.685168
C -5.092559 -3.099416 -0.539457
C 1.484444 0.680303 0.232356
C 0.567080 1.409722 -0.793380
C 0.865315 -0.649470 0.705116
C 2.920575 0.460155 -0.276476
C 0.152101 -0.731226 1.923964
C 3.345597 0.721258 -1.600654
C 0.983174 -1.804314 -0.106458
C 3.857455 -0.060100 0.656149
C 2.206643 2.859503 1.327758
C -0.432890 -1.953561 2.325860
C 4.681869 0.458079 -1.986203
C 0.391066 -3.022256 0.290695
C 5.190463 -0.311148 0.275382
C 2.047991 3.544988 2.684969
C -0.321205 -3.102537 1.510423
C 5.608374 -0.055379 -1.053202
H -2.795483 0.174003 0.393663
H -4.033751 1.942564 1.251997
H -4.197739 2.604902 -0.392135
H -6.340607 1.498108 -0.736179
H -6.449476 1.795312 1.026059
H -6.709202 -0.761427 0.138752
H -5.612667 -0.471610 1.534884
H -3.707327 1.124923 -2.387256
H -2.686077 -0.308392 -2.140477
H -3.177686 -2.102093 -0.757376
H -3.789474 -2.113122 0.915608
H -1.293094 1.729767 -2.692096
H -1.899010 2.548983 -1.217430
H -6.000915 -3.072116 0.089498
H -5.401507 -2.987726 -1.594055
H -4.626006 -4.093597 -0.411351
H 0.070443 0.160435 2.550309
H 2.650402 1.146573 -2.329511
H 1.545499 -1.754971 -1.046064
H 3.526204 -0.264787 1.680607
H 3.271722 2.664275 1.095975
H 1.776729 3.467286 0.509553
H -0.976691 -2.007212 3.276187
H 4.997325 0.663242 -3.015422
H 0.490961 -3.908417 -0.346494
H 5.900752 -0.710873 1.007843
H 0.983250 3.732981 2.908022
H 2.467920 2.920636 3.492783
H 2.579561 4.514273 2.679939
H -0.776371 -4.049463 1.822703
H 6.642907 -0.254760 -1.354708


