%chk=000039515.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039515

0 1
 O    4.918000       1.271100      0.7164000    
 O   0.2009000       2.014000      -1.328100    
 O    2.367400       2.523100      0.1055000    
 O    3.337800      -2.914800     -0.6675000    
 C   -4.691600      0.4856000     -9.4300002E-02
 C   -5.879000     -0.4652000      6.5899998E-02
 C   -3.403500     -0.2803000     -0.4030000    
 C   -7.173200      0.3019000      0.3414000    
 C   -2.209300      0.6709000     -0.5296000    
 C   -8.366200     -0.6468000      0.4682000    
 C  -0.9000000     -7.0400000E-02 -0.8108000    
 C   -9.664900      0.1222000      0.7100000    
 C   0.3024000      0.8546000     -0.9342000    
 C    1.650500      0.3237000     -0.5837000    
 C    4.125500     -0.7343000      4.2700000E-02
 C    3.833600      0.6148000      0.2159000    
 C    2.601700       1.193000     -8.5299999E-02
 C    5.470800     -0.8956000      0.4668000    
 C    1.873800      -1.025300     -0.7802000    
 C    3.123400      -1.578000     -0.4677000    
 C   -10.85820     -0.8150000      0.8035000    
 C    5.903800      0.3481000      0.8646000    
 C    6.256900      -2.144400      0.4838000    
 C    7.179200      0.8473000       1.399800    
 H   -4.895800       1.198300     -0.9025000    
 H   -4.563000       1.068300      0.8260000    
 H   -5.994500      -1.062900     -0.8465000    
 H   -5.683300      -1.164500      0.8878000    
 H   -3.523000     -0.8455000      -1.335100    
 H   -3.208200      -1.007300      0.3946000    
 H   -7.066600      0.8853000       1.264000    
 H   -7.356800       1.014300     -0.4722000    
 H   -2.402300       1.391600      -1.334100    
 H   -2.101400       1.255500      0.3927000    
 H   -8.193500      -1.347900       1.293800    
 H   -8.459300      -1.243000     -0.4478000    
 H  -0.9889000     -0.6336000      -1.746800    
 H  -0.7291000     -0.7775000      9.1000004E-03
 H   -9.587100      0.7014000       1.637500    
 H   -9.833000      0.8358000     -0.1051000    
 H    1.109300      -1.676800      -1.194200    
 H   -11.77570     -0.2442000      0.9779000    
 H   -10.98350      -1.384500     -0.1229000    
 H   -10.73680      -1.523500       1.629000    
 H    7.271900      -1.985200      0.8612000    
 H    5.777100      -2.891200       1.124900    
 H    6.339000      -2.559900     -0.5259000    
 H    7.426600      0.3403000       2.337800    
 H    7.990700      0.6680000      0.6877000    
 H    7.138400       1.922800       1.599400    
 H    3.179500       2.923500      0.4622000    
 H    2.525300      -3.314500      -1.022300    


%chk=000039515-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039515

0 1
O 5.306504 1.324993 0.233367
O 0.060594 2.298029 0.242265
O 2.759764 2.704233 0.294978
O 3.304950 -2.952752 -0.033559
C -4.837828 0.510702 0.132919
C -6.038485 -0.461101 0.099589
C -3.466534 -0.201644 0.109676
C -7.406303 0.258174 0.118616
C -2.279305 0.785019 0.152410
C -8.611066 -0.709078 0.091113
C -0.914628 0.072241 0.120781
C -9.977177 0.014434 0.108960
C 0.275776 1.052048 0.178099
C 1.661507 0.483040 0.155925
C 4.271823 -0.739580 0.104855
C 4.067117 0.654704 0.184907
C 2.822379 1.314314 0.213807
C 5.712336 -0.957387 0.102833
C 1.851276 -0.942909 0.074078
C 3.111757 -1.558359 0.047555
C -11.176293 -0.957954 0.083694
C 6.302256 0.296152 0.180197
C 6.430922 -2.278659 0.030631
C 7.721452 0.767439 0.219086
H -4.902736 1.204077 -0.731500
H -4.903879 1.144067 1.042169
H -5.971906 -1.096734 -0.808601
H -5.976237 -1.151898 0.966850
H -3.398263 -0.829963 -0.804057
H -3.403896 -0.899176 0.972127
H -7.470509 0.897071 1.024475
H -7.469290 0.946536 -0.750301
H -2.341077 1.489428 -0.698901
H -2.340587 1.412682 1.061699
H -8.550945 -1.396580 0.961086
H -8.548876 -1.349035 -0.814293
H -0.834372 -0.542899 -0.800148
H -0.841684 -0.637772 0.971401
H -10.037318 0.654774 1.012831
H -10.036477 0.700316 -0.760899
H 0.959778 -1.577347 0.029989
H -12.139946 -0.415952 0.097580
H -11.155946 -1.588368 -0.825585
H -11.155998 -1.634238 0.959380
H 7.525893 -2.142668 0.048178
H 6.147429 -2.930526 0.876102
H 6.162754 -2.825573 -0.890894
H 8.258304 0.367450 1.098753
H 8.278234 0.453015 -0.682548
H 7.752178 1.867780 0.272364
H 3.683313 3.071288 0.326145
H 2.435067 -3.422555 -0.069880


