%chk=000092043.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000092043

0 1
 O   -2.346200       2.097500      -2.153000    
 O   -1.855000       1.871800       2.508500    
 O  -0.3103000       2.735000      -1.396400    
 O  -0.5802000       3.312800       1.314700    
 C   -1.430400      5.6899998E-02  0.2235000    
 C   -1.817500       1.565200      0.1297000    
 C   -2.176100     -0.8703000     -0.7776000    
 C   8.8500001E-02 -0.1106000      0.1602000    
 C   -3.589600      -1.236300     -0.3893000    
 C   0.8126000     -4.4999998E-03   1.325600    
 C   0.6739000     -0.3606000      -1.059900    
 C   -1.390700       2.196600      -1.192700    
 C   -1.331500       2.347300       1.347400    
 C    2.821300     -0.4114000      4.6200000E-02
 C    2.197900     -0.1571000       1.267800    
 C    2.059200     -0.5131000      -1.117600    
 C   -3.810600      -2.370400      0.3750000    
 C   -4.637300     -0.4312000     -0.8052000    
 C    4.258100     -0.5694000     -1.3700000E-02
 C   -5.115500      -2.708500      0.7335000    
 C   -5.942300     -0.7694000     -0.4467000    
 C   -6.181400      -1.907900      0.3227000    
 C    5.074200      0.5418000     -0.2251000    
 C    4.827500      -1.833300      0.1419000    
 C    6.459600      0.3893000     -0.2808000    
 C    6.212900      -1.985800      8.6300001E-02
 C    7.028900     -0.8745000     -0.1250000    
 H   -1.726500     -0.3003000       1.221400    
 H   -2.910200       1.667900      0.1735000    
 H   -2.181900     -0.4462000      -1.788800    
 H   -1.626900      -1.817900     -0.8801000    
 H   0.3407000      0.1793000       2.285100    
 H   0.1103000     -0.4270000      -1.984000    
 H    2.776700     -7.7500001E-02   2.185100    
 H    2.529800     -0.7068000      -2.078700    
 H   -2.987300      -2.998600      0.7026000    
 H   -4.465900      0.4540000      -1.409400    
 H   -5.301700      -3.594600       1.333300    
 H   -6.772400     -0.1469000     -0.7678000    
 H   -7.197300      -2.171200      0.6018000    
 H   -2.057600       2.501700      -2.998800    
 H   -1.546900       2.385500       3.285200    
 H    4.646800       1.534300     -0.3481000    
 H    4.206000      -2.710100      0.3078000    
 H    7.095200       1.254500     -0.4452000    
 H    6.656300      -2.969800      0.2076000    
 H    8.107700     -0.9933000     -0.1683000    


%chk=000092043-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000092043

0 1
O -2.724239 2.339864 -1.798620
O -1.635839 1.353325 2.694607
O -0.511202 2.725952 -1.218311
O -1.331631 3.394909 1.641511
C -1.426003 -0.075430 0.250059
C -1.978762 1.407578 0.299581
C -2.164455 -0.897350 -0.860212
C 0.096523 -0.179310 0.150781
C -3.624874 -1.172387 -0.524145
C 0.865759 -0.391347 1.323915
C 0.785622 -0.108947 -1.087286
C -1.614582 2.226554 -0.934461
C -1.586723 2.178099 1.559906
C 2.960025 -0.444261 0.026522
C 2.267997 -0.520030 1.265421
C 2.185971 -0.239365 -1.148007
C -3.961971 -2.230287 0.361762
C -4.672731 -0.381656 -1.063761
C 4.443791 -0.577893 -0.041411
C -5.307531 -2.492413 0.700423
C -6.021429 -0.641712 -0.726892
C -6.343777 -1.696965 0.156518
C 5.199075 0.150368 -1.002331
C 5.144831 -1.435642 0.851049
C 6.602901 0.024242 -1.070307
C 6.548868 -1.561920 0.785341
C 7.286283 -0.832933 -0.176616
H -1.725658 -0.505266 1.223262
H -3.083047 1.317604 0.330482
H -2.091568 -0.377667 -1.833507
H -1.620451 -1.854501 -0.965119
H 0.355331 -0.448223 2.292413
H 0.229708 0.042162 -2.019221
H 2.834562 -0.653253 2.194031
H 2.685195 -0.206992 -2.122810
H -3.164243 -2.858927 0.778262
H -4.426322 0.438859 -1.747735
H -5.549507 -3.317107 1.380515
H -6.818225 -0.022921 -1.155098
H -7.388873 -1.901004 0.415257
H -2.458210 2.885807 -2.588976
H -1.442581 1.907691 3.498612
H 4.686099 0.844183 -1.678050
H 4.583464 -2.030393 1.580686
H 7.164454 0.602381 -1.812832
H 7.066543 -2.235838 1.477377
H 8.376330 -0.930739 -0.228385


