%chk=000127484.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127484

0 1
 O  -0.3386000     -6.9999998E-04   2.092500    
 O    2.672100      1.9999999E-04 -0.6551000    
 O   -2.314300     -1.0000000E-03   3.299300    
 O    3.080500       4.718200     -0.3729000    
 O    3.081600      -4.717600     -0.3736000    
 O   -6.156700     -1.7000000E-03 -0.2138000    
 O   -5.659400      5.0000002E-04  -2.431800    
 C   7.9200000E-02 -1.9999999E-04  0.6905000    
 C   0.8850000       1.258700      0.4376000    
 C   0.8854000      -1.258700      0.4369000    
 C   -1.238200      9.9999997E-05 -1.5500000E-02
 C    2.112600       1.180800     -0.2301000    
 C    2.113100      -1.180500     -0.2303000    
 C   -2.266000     -6.0000003E-04  0.9102000    
 C   -1.700900     -7.9999998E-04   2.250900    
 C   0.4187000       2.525700      0.8302000    
 C   0.4190000      -2.526000      0.8286000    
 C   -1.522600      6.9999998E-04  -1.372100    
 C    2.850600       2.336200     -0.5085000    
 C    2.851600      -2.335700     -0.5087000    
 C   -3.599900     -3.9999999E-04  0.5469000    
 C    1.158500       3.678100      0.5584000    
 C    1.159200      -3.678000      0.5571000    
 C    2.373600       3.583200     -0.1127000    
 C    2.374700      -3.582800     -0.1132000    
 C   -2.862600      8.9999998E-04  -1.770500    
 C   -3.894300      3.0000001E-04 -0.8167000    
 C    4.158900       2.242300      -1.229200    
 C    4.160400      -2.241200      -1.228400    
 C   -5.281100      9.9999997E-05  -1.256000    
 H  -0.5314000       2.630400       1.347900    
 H  -0.5315000      -2.630900       1.345800    
 H  -0.7301000      1.1000000E-03  -2.113000    
 H   -4.362300     -6.9999998E-04   1.318000    
 H   0.7767000       4.646400      0.8708000    
 H   0.7709000      -4.643000      0.8720000    
 H   -3.088800      1.4000000E-03  -2.834200    
 H    4.123200       2.820900      -2.159000    
 H    4.968800       2.620400     -0.5957000    
 H    4.435700       1.222700      -1.512300    
 H    4.038900      -1.691400      -2.168300    
 H    4.894500      -1.721200     -0.6038000    
 H    4.582400      -3.216400      -1.489200    
 H    3.913100       4.520800     -0.8283000    
 H    2.593600      -5.483300     -2.5000000E-02
 H   -7.088600     -2.4000001E-03 -0.5201000    


%chk=000127484-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127484

0 1
O -0.105335 0.016216 1.975450
O 2.966248 -0.013035 -0.240747
O -1.907476 0.019185 3.465511
O 3.043047 4.816859 -0.633897
O 3.144479 -4.774421 -0.553710
O -6.373150 -0.002139 0.361742
O -6.099942 -0.020822 -1.945188
C 0.095556 0.003516 0.413115
C 0.868076 1.254981 0.061225
C 0.859786 -1.259846 0.085160
C -1.350928 0.001537 -0.076008
C 2.259711 1.204967 -0.195812
C 2.251941 -1.223830 -0.172975
C -2.246413 0.006703 1.011863
C -1.483645 0.015723 2.295083
C 0.244797 2.529588 0.066657
C 0.233835 -2.529703 0.116314
C -1.832103 -0.006124 -1.399454
C 3.042997 2.362276 -0.434318
C 3.039398 -2.382304 -0.389070
C -3.640382 0.003585 0.830645
C 0.976015 3.700793 -0.168663
C 0.968476 -3.705402 -0.095711
C 2.367844 3.608666 -0.411226
C 2.364875 -3.624609 -0.340706
C -3.228082 -0.009469 -1.601743
C -4.130466 -0.005098 -0.498685
C 4.533448 2.286319 -0.704381
C 4.524710 -2.283298 -0.657161
C -5.589611 -0.009790 -0.799297
H -0.828453 2.598899 0.271321
H -0.839318 -2.594344 0.321927
H -1.142960 -0.008471 -2.249524
H -4.323130 0.008230 1.684467
H 0.504548 4.686627 -0.159954
H 0.468086 -4.680934 -0.062705
H -3.650690 -0.015002 -2.611900
H 4.791814 2.691428 -1.703430
H 5.116972 2.843959 0.055787
H 4.876918 1.242312 -0.674417
H 4.724577 -1.651478 -1.541937
H 5.048974 -1.814782 0.195925
H 4.952423 -3.281913 -0.828187
H 4.011061 4.665166 -0.774565
H 2.591110 -5.591254 -0.487732
H -7.334434 -0.004563 0.106512


