%chk=000065571.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065571

0 1
 O  -0.6903000       2.745400     -0.6038000    
 O  -0.4681000      -2.685800      0.3804000    
 O    1.435800      -1.836100      -1.340900    
 O   -3.173500      -2.909700      0.2276000    
 O    4.164500      -1.775500      -1.315300    
 O   -2.052800       3.476100      -2.237600    
 C   -1.240000      0.8216000      0.8950000    
 C  -0.3808000     -0.2540000      0.1602000    
 C    1.155600     -0.2320000      0.4976000    
 C    1.692500       1.235500      0.3433000    
 C  -0.6225000       2.221800      0.7429000    
 C   -2.657000      0.8505000      0.2571000    
 C   0.8595000       2.260600       1.136200    
 C    3.211200       1.328200      0.6651000    
 C   -1.404800      0.5302000       2.415700    
 C   -1.079900      -1.622200      0.2894000    
 C    1.484200     -0.8280000       1.887500    
 C    1.953400      -1.031000     -0.5686000    
 C   -2.659100       1.440800      -1.153900    
 C   -3.298700     -0.5302000      0.2182000    
 C   -2.576000      -1.665400      0.2396000    
 C    3.982800      0.2356000     -3.6499999E-02
 C   -1.811600       2.664100      -1.347700    
 C    3.430800     -0.8286000     -0.6359000    
 C    3.803100       2.686500      0.2653000    
 C   -4.805700     -0.5371000      0.1763000    
 C   -3.356800      -3.365100      -1.098600    
 C    5.104100      -2.396200     -0.4582000    
 H  -0.4316000     -4.3600000E-02 -0.9188000    
 H    1.583500       1.505300     -0.7202000    
 H   -1.159400       2.944300       1.371500    
 H   -3.281600       1.504200      0.8836000    
 H   0.9837000       2.108100       2.212500    
 H    1.230100       3.269800      0.9235000    
 H    3.370900       1.206400       1.743800    
 H   -2.134800       1.217200       2.861500    
 H   -1.756800     -0.4847000       2.621200    
 H  -0.4825000      0.6680000       2.979600    
 H    1.483400     -7.0299998E-02   2.674600    
 H   0.7771000      -1.604000       2.190900    
 H    2.472600      -1.299800       1.917300    
 H   -3.687400       1.718600      -1.418700    
 H   -2.326700      0.7052000      -1.896900    
 H    5.063300      0.3566000     -6.6799998E-02
 H    4.889500       2.703500      0.4110000    
 H    3.603700       2.916400     -0.7874000    
 H    3.393400       3.496400      0.8758000    
 H   -5.235200      -1.537700      0.2813000    
 H   -5.163700     -0.1199000     -0.7700000    
 H   -5.207900      6.7900002E-02  0.9959000    
 H   -3.833900      -4.348800      -1.057500    
 H   -2.397500      -3.478600      -1.615800    
 H   -4.011400      -2.698400      -1.670500    
 H    5.491500      -3.282100     -0.9712000    
 H    4.643800      -2.731200      0.4789000    
 H    5.956000      -1.739700     -0.2533000    


%chk=000065571-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065571

0 1
O -0.551216 2.936402 -0.451910
O -0.740633 -2.632841 0.911835
O 1.093552 -1.805226 -1.308903
O -3.464478 -2.705511 0.104886
O 3.812007 -2.131800 -1.130379
O -1.570451 3.566773 -2.386859
C -1.343900 0.913741 0.951365
C -0.494579 -0.237761 0.304455
C 1.031007 -0.286799 0.652952
C 1.644220 1.158172 0.483997
C -0.603734 2.276093 0.901867
C -2.683043 1.015992 0.150559
C 0.868039 2.194506 1.325746
C 3.172509 1.170743 0.777613
C -1.692069 0.656574 2.447193
C -1.264339 -1.563588 0.484909
C 1.366968 -0.877901 2.057176
C 1.725933 -1.142522 -0.445423
C -2.485058 1.588116 -1.285623
C -3.407914 -0.321615 0.034969
C -2.722187 -1.513064 0.140626
C 3.879728 0.002775 0.111322
C -1.550027 2.782996 -1.417349
C 3.226035 -1.060760 -0.454120
C 3.843153 2.500352 0.336426
C -4.899665 -0.283931 -0.190047
C -2.885088 -3.863037 -0.620010
C 5.269536 -2.107246 -1.274254
H -0.521048 -0.064688 -0.793502
H 1.520393 1.451538 -0.581242
H -1.148888 2.996226 1.545365
H -3.342124 1.723921 0.698426
H 0.931390 1.956697 2.404258
H 1.305835 3.198559 1.190564
H 3.315058 1.077257 1.878381
H -2.360419 1.454582 2.822121
H -2.215273 -0.304592 2.579225
H -0.798286 0.637879 3.089728
H 1.079091 -0.186860 2.868157
H 0.840132 -1.831300 2.204158
H 2.449305 -1.068504 2.151311
H -3.452774 1.883001 -1.725340
H -2.078722 0.803014 -1.954319
H 4.975062 0.062883 0.072163
H 4.933059 2.467342 0.519992
H 3.684049 2.678368 -0.742830
H 3.442208 3.367105 0.890143
H -5.287754 -1.281840 -0.442969
H -5.168664 0.426626 -0.995280
H -5.421768 0.064201 0.724499
H -3.693188 -4.610350 -0.633497
H -1.999805 -4.247699 -0.091611
H -2.615095 -3.577711 -1.654223
H 5.516819 -3.015223 -1.842523
H 5.770670 -2.132877 -0.286060
H 5.598433 -1.208085 -1.831913


