%chk=000134017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134017

0 1
 O    3.049000      0.7398000     -0.5865000    
 O   0.8031000      0.1436000      -1.023500    
 O    2.217000      -1.878000       2.529900    
 O    4.265500     -0.1610000       1.885500    
 O    3.301800       3.599800      4.9600001E-02
 O    2.715800      -3.773900      -1.500800    
 O   -1.645500       1.656200     -0.1612000    
 O  -0.8493000       3.536900      -1.260400    
 O   -1.822500       3.563000       1.140000    
 O   -1.626900      -2.015400     -0.6504000    
 O   -4.772700      0.2143000      0.6914000    
 N    1.308700      -2.508300     -0.1449000    
 N   -1.010400       2.069600      -3.603000    
 N   -2.653700      9.2600003E-02   1.628400    
 N   -4.972300      -2.487100      0.7709000    
 C    2.231000      -1.436100      0.1522000    
 C    1.989000     -0.8642000       1.553900    
 C    2.922400      0.3235000       1.815500    
 C    2.795300       1.353800      0.6857000    
 C    2.145900     -0.3241000     -0.9028000    
 C    3.772800       2.514900      0.8284000    
 C   0.5985000      0.8118000      -2.258500    
 C    1.634300      -3.587800     -0.9492000    
 C  -0.8272000       1.352900      -2.342000    
 C   0.5005000      -4.570100      -1.072900    
 C   -1.091100       2.338000      -1.212000    
 C   -1.972400       2.359100      0.9605000    
 C   -2.569800       1.468100       2.026500    
 C   -3.627200      -1.922700      0.6781000    
 C   -3.769100     -0.4340000      0.9808000    
 C   -3.040300      -2.175100     -0.7092000    
 H    3.240300      -1.866900      0.1256000    
 H   0.9440000     -0.5435000       1.652400    
 H    2.697500      0.7736000       2.788200    
 H    1.773700       1.756100      0.6731000    
 H    2.467300     -0.7462000      -1.863700    
 H    4.774000       2.246800      0.4758000    
 H    3.829300       2.853200       1.867700    
 H   0.3606000      -2.427800      0.2114000    
 H    2.066000      -1.480600       3.404400    
 H    4.573000     -0.3427000      0.9816000    
 H    1.318700       1.635800      -2.345800    
 H   0.7739000      0.1095000      -3.083100    
 H   -1.557400      0.5378000      -2.281000    
 H    3.936200       4.328600      0.1590000    
 H  -0.1163000      -4.583100     -0.1698000    
 H   0.9070000      -5.574000      -1.224500    
 H  -0.1183000      -4.297900      -1.931900    
 H  -0.8338000       1.438500      -4.383900    
 H   -1.982700       2.363300      -3.690900    
 H   -1.928700       1.511000       2.911600    
 H   -3.569800       1.839900       2.268600    
 H   -2.996300      -2.387900       1.445100    
 H   -1.851100     -0.5050000       1.804300    
 H   -3.235600      -3.199400      -1.044200    
 H   -3.439700      -1.476100      -1.452200    
 H   -5.318600      -2.392700       1.725300    
 H   -4.938000      -3.488100      0.5814000    
 H   -1.289100      -2.132300      -1.554700    


%chk=000134017-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134017

0 1
O 2.821330 0.606780 -0.852085
O 0.549601 -0.104453 -1.195790
O 2.266260 -1.840923 2.551506
O 4.234322 -0.034454 1.620053
O 2.830857 3.568369 -0.595872
O 3.151671 -4.142122 -0.426393
O -1.603298 1.780244 0.116338
O -0.122173 3.438650 -0.683361
O -0.460131 2.529855 2.056193
O -1.337620 -1.670307 -0.056445
O -4.891156 0.330695 0.892093
N 1.295843 -2.770672 -0.100271
N -0.995093 2.528562 -3.374876
N -2.762267 -0.127633 1.739206
N -5.073494 -2.091746 -0.395459
C 2.112506 -1.575985 0.082900
C 1.930968 -0.911639 1.481287
C 2.812982 0.364005 1.589064
C 2.509786 1.323196 0.428217
C 1.966564 -0.548671 -1.065522
C 3.306105 2.633204 0.420045
C 0.353435 0.761745 -2.389901
C 1.895175 -4.008440 -0.291880
C -0.905815 1.648731 -2.213156
C 0.941068 -5.195930 -0.324761
C -0.795565 2.413081 -0.874238
C -1.424944 1.947370 1.545015
C -2.550538 1.215609 2.273884
C -3.820165 -1.823432 0.308369
C -3.890544 -0.442179 1.006784
C -2.645089 -1.857930 -0.720169
H 3.160129 -1.937110 0.012791
H 0.871614 -0.645563 1.652716
H 2.630649 0.846080 2.564915
H 1.429884 1.557374 0.448369
H 2.296735 -0.979068 -2.028459
H 4.362367 2.444570 0.169419
H 3.258235 3.073737 1.439031
H 0.274846 -2.701846 0.036831
H 3.260048 -1.896091 2.581656
H 4.549200 -0.131635 0.681990
H 1.248338 1.402568 -2.502025
H 0.218562 0.135688 -3.289934
H -1.806668 1.013435 -2.168405
H 1.880392 3.803563 -0.423384
H -0.121284 -4.897461 -0.342851
H 1.118077 -5.820302 0.568878
H 1.163296 -5.816930 -1.208496
H -1.928350 2.886355 -3.587196
H -0.261726 3.241376 -3.432040
H -2.292866 1.201157 3.346381
H -3.500455 1.770050 2.138119
H -3.603112 -2.590262 1.080824
H -1.953333 -0.749108 1.579768
H -2.667776 -2.842275 -1.220416
H -2.820388 -1.074479 -1.483254
H -5.710240 -1.286341 -0.378392
H -5.524847 -2.980139 -0.177337
H -0.745607 -1.020924 -0.560477


