%chk=000043194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043194

0 1
 I   -6.251400       1.592500     -0.2874000    
 O    2.544500      7.6099999E-02 -0.1548000    
 O   0.3984000     -0.4368000      1.6600000E-02
 O    1.963200      -2.093900      0.3609000    
 C    4.781200      0.9586000     -0.4130000    
 C    3.922000     -0.2716000     -0.1078000    
 C    4.549100       2.069000      0.6138000    
 C    6.259500      0.5781000     -0.4582000    
 C   -1.975000     -0.6745000      0.1313000    
 C  -0.6545000      -1.375400      0.2603000    
 C    1.663100     -0.9366000      0.1005000    
 C   -2.551600     -8.0600001E-02   1.248300    
 C   -2.609900     -0.6255000      -1.104600    
 C   -3.779100      0.5708000       1.127900    
 C   -3.837500      2.5800001E-02  -1.225100    
 C   -4.422100      0.6240000     -0.1088000    
 H    4.488600       1.353300      -1.394300    
 H    4.118400      -1.052300     -0.8529000    
 H    4.164900     -0.6663000      0.8867000    
 H    5.170400       2.942100      0.3873000    
 H    4.796900       1.731400       1.626000    
 H    3.504900       2.398000      0.6123000    
 H    6.877600       1.447300     -0.7068000    
 H    6.440700     -0.1884000      -1.219000    
 H    6.599400      0.1857000      0.5063000    
 H  -0.5471000      -1.799400       1.266600    
 H  -0.5903000      -2.199400     -0.4614000    
 H   -2.058300     -0.1144000       2.215800    
 H   -2.162400      -1.086300      -1.980900    
 H   -4.216800       1.030500       2.010300    
 H   -4.321200      5.5799998E-02  -2.198100    


%chk=000043194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043194

0 1
I -6.454006 1.324529 -0.829915
O 2.573684 0.043915 -0.141690
O 0.409765 -0.331753 0.228957
O 1.969021 -1.861531 1.095351
C 4.839672 0.778043 -0.671873
C 4.018271 -0.323649 0.007943
C 4.635563 2.145165 0.018829
C 6.330364 0.360786 -0.677544
C -2.005881 -0.544393 0.417403
C -0.678390 -1.163478 0.804596
C 1.687304 -0.821159 0.457368
C -3.177854 -0.959535 1.096817
C -2.115361 0.410485 -0.620209
C -4.443431 -0.440288 0.745645
C -3.375200 0.943192 -0.979498
C -4.530160 0.511219 -0.294175
H 4.489713 0.856059 -1.720610
H 4.173143 -1.311140 -0.464622
H 4.249125 -0.405356 1.087068
H 5.199603 2.936065 -0.508180
H 4.995403 2.112923 1.065550
H 3.569088 2.427951 0.029103
H 6.942094 1.132882 -1.177176
H 6.488806 -0.595227 -1.210740
H 6.714622 0.245914 0.354320
H -0.552412 -1.210256 1.902144
H -0.574630 -2.193190 0.411042
H -3.114239 -1.692735 1.910428
H -1.212813 0.747123 -1.137188
H -5.339279 -0.768941 1.279584
H -3.445984 1.683983 -1.780929


