%chk=000172847.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172847

0 1
 O    1.577100       1.178500      -1.734900    
 O    5.387300      -1.019800       1.603400    
 O    6.116300      0.3223000     -0.7170000    
 O   -2.271000      -1.638900      -1.556400    
 O   -4.934000      -1.583800     -0.9601000    
 O   -5.822300      0.3462000      0.8501000    
 O   -3.910500       2.062100       1.903600    
 C  -0.2498000      5.5100001E-02 -0.5441000    
 C   0.6468000     -0.2454000      0.6595000    
 C   0.2502000       1.332300      -1.216700    
 C    2.095500     -8.7700002E-02  0.2883000    
 C   -1.686000      0.1755000     -0.1465000    
 C    2.473300      0.6141000     -0.8640000    
 C    3.089800     -0.6255000       1.116400    
 C   -2.644300     -0.7838000     -0.7583000    
 C   -2.119600       1.097400      0.7203000    
 C    3.823400      0.7397000      -1.201700    
 C    4.437900     -0.4876000      0.7840000    
 C    4.804000      0.1910000     -0.3765000    
 C   -4.073600     -0.6774000     -0.3736000    
 C   -3.540100       1.207200       1.105900    
 C   -4.491800      0.2510000      0.4954000    
 C    5.791100      -2.362200       1.341200    
 C    6.802100       1.471700     -0.2243000    
 C   -5.040100      -2.754700     -0.1743000    
 C   -6.511600       1.222700     -1.9600000E-02
 H  -0.1047000     -0.7627000      -1.262600    
 H   0.4593000      -1.269700       1.006300    
 H   0.4475000      0.4307000       1.499800    
 H  -0.3908000       1.588800      -2.068500    
 H   0.2454000       2.196800     -0.5400000    
 H    2.810500      -1.157700       2.023000    
 H   -1.445800       1.812900       1.180200    
 H    4.111200       1.269900      -2.106500    
 H    6.220300      -2.446900      0.3379000    
 H    4.942100      -3.045300       1.445800    
 H    6.555000      -2.639200       2.072800    
 H    6.339500       2.387200     -0.6065000    
 H    7.836900       1.429800     -0.5751000    
 H    6.803700       1.480000      0.8703000    
 H   -4.070300      -3.251700     -6.0899999E-02
 H   -5.714300      -3.447900     -0.6861000    
 H   -5.467100      -2.537600      0.8110000    
 H   -6.090200       2.233400      1.4100000E-02
 H   -7.552700       1.282000      0.3119000    
 H   -6.508400      0.8496000      -1.049700    


%chk=000172847-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172847

0 1
O 1.494851 0.644707 -1.979101
O 5.413957 -0.589461 1.892026
O 6.133557 0.016051 -0.883627
O -2.319757 -1.874228 -1.397123
O -5.161325 -1.661490 -0.836189
O -6.057499 0.419421 0.485246
O -4.126313 2.386221 1.508513
C -0.333524 -0.088795 -0.436440
C 0.592721 0.079031 0.795698
C 0.122280 0.921008 -1.526788
C 2.055452 0.070243 0.375945
C -1.801148 0.114245 -0.131352
C 2.431388 0.352252 -0.965923
C 3.083986 -0.250761 1.292622
C -2.763579 -0.916324 -0.674728
C -2.295086 1.190458 0.550710
C 3.785471 0.337845 -1.367707
C 4.438352 -0.280160 0.911558
C 4.793791 0.040910 -0.433828
C -4.207711 -0.768041 -0.379021
C -3.740956 1.379459 0.819295
C -4.691605 0.359665 0.298692
C 6.145286 -1.854481 1.644118
C 7.024295 1.005335 -0.231366
C -4.830127 -3.075784 -1.128150
C -6.747688 1.641534 0.960403
H -0.208006 -1.101286 -0.862839
H 0.400660 -0.729939 1.524419
H 0.354347 1.030063 1.314616
H -0.491838 0.844945 -2.437800
H 0.072645 1.956379 -1.130034
H 2.840022 -0.501270 2.331307
H -1.651574 1.976959 0.960725
H 4.054045 0.569983 -2.401465
H 6.654940 -1.830098 0.663915
H 5.446523 -2.711941 1.681435
H 6.880162 -1.933841 2.459857
H 6.702737 2.031777 -0.491134
H 8.026461 0.811648 -0.643089
H 7.021845 0.876998 0.865822
H -4.276329 -3.163811 -2.074278
H -5.814624 -3.563764 -1.192920
H -4.232937 -3.518741 -0.311972
H -6.504400 1.848798 2.013520
H -7.813022 1.394715 0.836580
H -6.473527 2.515963 0.347153


