%chk=000123663.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123663

0 1
 O   0.4560000       1.707100      0.8061000    
 O   -2.768100      -2.575700      0.2213000    
 O   -1.265500       3.974400       1.185300    
 O   0.2399000      0.9576000      -1.957800    
 O   -3.276200     -0.8650000      -2.028800    
 O   -3.855000      -1.253700       2.527500    
 O    4.372600     -0.7373000      0.6994000    
 O    2.598100      -2.733400     -0.1527000    
 O    2.205900       3.088100      0.2022000    
 O  -0.7559000      -1.474100      0.4905000    
 O    4.477900       1.122900     -0.6604000    
 O   0.9676000      -3.008900      -1.761000    
 N  -0.2875000       2.375300     -0.1913000    
 N   -3.362200      -1.295100      0.2551000    
 C   -1.667600       3.907300      -1.200700    
 C   -1.168000       2.905700      -2.244100    
 C   -4.166300      0.7372000     -0.4476000    
 C   -4.358200      0.6082000       1.064900    
 C   -1.068500       3.447800      0.1011000    
 C  -0.3133000       1.934000      -1.476000    
 C   -3.549200     -0.5667000     -0.8764000    
 C   -3.839600     -0.7617000       1.409800    
 C    2.470100       1.438500       1.973000    
 C  -0.8380000      -3.901100      0.3151000    
 C    3.971800       1.347600       1.710700    
 C   0.6804000      -3.925100      0.4767000    
 C    1.730200       2.194700      0.8896000    
 C   -1.410200      -2.499900      0.3598000    
 C    4.684500      -1.573000     -0.4087000    
 C    3.395900      -1.997900      -1.086100    
 C    4.299200      0.6047000      0.4331000    
 C    1.398900      -3.182500     -0.6295000    
 H   -1.323100       4.920400      -1.427900    
 H   -2.759000       3.902200      -1.132200    
 H   -1.999800       2.375100      -2.716400    
 H  -0.5670000       3.399700      -3.013200    
 H   -3.496300       1.563100     -0.6929000    
 H   -5.123000      0.8799000     -0.9582000    
 H   -5.414200      0.6855000       1.339300    
 H   -3.783900       1.367800       1.603500    
 H    2.060900      0.4228000       2.035100    
 H    2.282800       1.945800       2.925000    
 H   -1.117900      -4.351800     -0.6438000    
 H   -1.291600      -4.480800       1.126300    
 H    4.414900       2.347700       1.632600    
 H    4.477800      0.8548000       2.549100    
 H   0.9427000      -3.465400       1.437300    
 H    1.041900      -4.958700      0.4779000    
 H    5.201200      -2.449800     -4.1000000E-03
 H    5.367700      -1.083600      -1.111900    
 H    2.829700      -1.119400      -1.416000    
 H    3.623800      -2.633500      -1.948800    


%chk=000123663-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123663

0 1
O 0.335506 1.221676 -0.005514
O -2.539875 -2.168322 0.195471
O -1.720877 3.238609 0.026737
O 1.392165 1.005599 -2.708397
O -2.872914 0.407487 -1.126118
O -3.574887 -1.973762 2.882705
O 3.580952 0.159665 0.271131
O 2.653961 -2.419081 -0.640792
O 1.889754 2.946254 0.458541
O -0.558089 -1.603019 1.354999
O 5.021417 -0.447984 2.008466
O 0.895653 -2.665762 -2.154396
N -0.081461 1.984804 -1.130094
N -3.120724 -1.001013 0.770433
C -1.450751 3.343914 -2.467733
C -0.380078 2.658049 -3.359668
C -3.980297 1.172969 0.993704
C -4.192276 0.400129 2.323694
C -1.156361 2.900702 -1.035980
C 0.445834 1.766748 -2.428070
C -3.263762 0.211654 0.043106
C -3.622208 -1.002267 2.102986
C 1.605901 1.021227 2.014664
C -0.711806 -3.710754 0.039423
C 3.083651 1.008339 2.463518
C 0.825066 -3.827002 0.021852
C 1.379561 1.871714 0.784609
C -1.167267 -2.391002 0.625349
C 4.325362 -0.682321 -0.703276
C 3.306876 -1.427513 -1.547153
C 4.005497 0.155762 1.600603
C 1.425362 -2.922174 -1.049804
H -1.428489 4.444543 -2.524760
H -2.473848 3.011195 -2.712658
H -0.819835 2.025485 -4.148567
H 0.296313 3.378762 -3.850063
H -3.349232 2.071706 1.101511
H -4.928910 1.490608 0.527606
H -5.253754 0.311897 2.611234
H -3.661680 0.863969 3.172704
H 1.208109 0.008655 1.841925
H 0.994225 1.474036 2.820770
H -1.123842 -3.811385 -0.979346
H -1.156485 -4.515700 0.655128
H 3.482335 2.041771 2.464060
H 3.168103 0.627726 3.494794
H 1.264517 -3.580031 1.001136
H 1.102983 -4.870945 -0.216700
H 4.998246 -1.358571 -0.148169
H 4.917725 -0.001360 -1.339596
H 2.543102 -0.751803 -1.966603
H 3.808831 -1.972082 -2.368602


