%chk=000099984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099984

0 1
 O    5.916400       3.290500      -1.182900    
 O    2.493700       1.256200       1.908200    
 O    4.434400       2.047300      -2.369600    
 O    8.020500      -1.923600     -0.2044000    
 O    7.967200     -0.6419000       1.667000    
 O   -4.525800      0.7146000      -2.468900    
 O   -6.249700       3.931200      0.3635000    
 O   -2.763500      -4.241600      -1.872900    
 N    3.466600      0.8636000     -0.1602000    
 N   -1.782400      -2.810700     -0.5069000    
 N   -3.841300     -0.8717000     -0.3930000    
 N   -5.349600       2.022700       1.267400    
 N   -4.417100      4.5200001E-02   2.197400    
 N   -5.393300       2.335400      -1.060100    
 N   -1.787200      -3.507200      -1.691000    
 C    4.622300       1.702200      3.3900000E-02
 C    5.793300      0.9554000      0.6840000    
 C    6.367500     -0.2174000     -0.1210000    
 C    1.370000     -0.2111000      0.4649000    
 C    2.484500      0.7091000      0.8085000    
 C  -0.7232000      -1.938400     -0.1805000    
 C    4.963400       2.329300      -1.302200    
 C   -2.869500      -2.924900      0.4947000    
 C   0.6724000     -0.8703000       1.477100    
 C    1.020900     -0.4155000     -0.8700000    
 C   -3.537000      -1.593700      0.7023000    
 C  -0.3742000      -1.734000       1.154500    
 C  -2.5800001E-02  -1.279200      -1.192700    
 C    7.511900     -0.9284000      0.5685000    
 C   -4.437900      0.3149000     -0.1615000    
 C   -4.726400      0.7768000       1.107100    
 C   -3.819600      -1.143600       1.973700    
 C   -4.779600       1.120300      -1.340500    
 C   -5.702100       2.838800      0.2052000    
 H    4.321400       2.524000      0.6964000    
 H    5.474200      0.5809000       1.665700    
 H    6.604700       1.667800      0.8835000    
 H    6.737900      0.1472000      -1.085400    
 H    5.582000     -0.9591000     -0.3033000    
 H    3.433900      0.3159000      -1.013800    
 H   -2.502900      -3.365500       1.429100    
 H   -3.655600      -3.613800      0.1600000    
 H   0.9374000     -0.7324000       2.522200    
 H    1.514900      0.1039000      -1.685600    
 H  -0.8571000      -2.244700       1.980400    
 H  -0.2866000      -1.401300      -2.240800    
 H   -3.579500      -1.717200       2.861300    
 H   -5.545500       2.327900       2.215700    
 H    6.125000       3.707300      -2.046000    
 H   -5.642600       2.916500      -1.855600    
 H    8.774300      -2.375600      0.2313000    


%chk=000099984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099984

0 1
O 6.289114 3.210159 -1.337199
O 2.909773 1.024501 1.797255
O 4.922497 1.813146 -2.592239
O 8.142465 -1.960462 0.174792
O 7.985570 -0.520766 1.990289
O -4.815047 1.036325 -2.448326
O -6.775506 3.849071 0.733287
O -2.907582 -4.107133 -1.974612
N 3.671164 0.852634 -0.381672
N -1.845146 -2.735788 -0.518764
N -4.017878 -0.811765 -0.346435
N -5.740568 1.888689 1.485246
N -4.719120 -0.064093 2.314565
N -5.778620 2.395986 -0.817614
N -1.872908 -3.389703 -1.771067
C 4.811797 1.739470 -0.124144
C 5.952616 1.064179 0.698095
C 6.542994 -0.174032 0.002485
C 1.574917 -0.288851 0.247725
C 2.752781 0.573302 0.614882
C -0.707020 -1.911689 -0.265165
C 5.311974 2.233465 -1.477244
C -2.965690 -2.896018 0.432234
C 0.732863 -0.709126 1.305987
C 1.248383 -0.688801 -1.076517
C -3.683661 -1.593598 0.719620
C -0.392422 -1.515048 1.061157
C 0.121642 -1.486352 -1.338397
C 7.602469 -0.852966 0.848265
C -4.691385 0.341371 -0.098124
C -5.045893 0.711643 1.237846
C -4.038049 -1.206648 2.044060
C -5.068645 1.234600 -1.237246
C -6.146399 2.791668 0.485784
H 4.466163 2.608296 0.469244
H 5.525652 0.787777 1.676463
H 6.739997 1.814921 0.884113
H 7.003374 0.073359 -0.974170
H 5.754470 -0.919852 -0.215781
H 3.540699 0.551128 -1.350971
H -2.618829 -3.370933 1.367377
H -3.653790 -3.603563 -0.077004
H 0.988375 -0.387768 2.320752
H 1.847823 -0.364660 -1.935062
H -1.009054 -1.838273 1.904730
H -0.133391 -1.771011 -2.360790
H -3.772753 -1.826573 2.907405
H -5.975824 2.122796 2.454129
H 6.603124 3.508664 -2.233575
H -6.062517 3.041077 -1.562809
H 8.830700 -2.390658 0.751837


