%chk=000001426.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001426

0 1
 O    5.034200      -1.991500     -0.6096000    
 O   -10.93640      5.5300001E-02 -0.4327000    
 O    4.208400      -2.897300      0.1688000    
 O   -9.710300      -1.555300      0.6074000    
 C   -4.787300      0.1822000      0.2781000    
 C   -3.616100       1.087800     -0.1062000    
 C   -6.114100      0.7377000     -0.2420000    
 C   -2.285100      0.5152000      0.3853000    
 C    7.350000     -0.2734000      0.1672000    
 C   -7.280700     -0.1848000      0.1135000    
 C    6.004900      0.2228000     -0.3778000    
 C    8.519300      0.6626000     -0.1563000    
 C   -1.118200       1.438500      2.9500000E-02
 C    4.843100     -0.7118000     -1.1900000E-02
 C    9.849100      0.2078000      0.4469000    
 C   -8.610500      0.3859000     -0.3764000    
 C   0.1838000      0.8915000      0.5406000    
 C    3.540400     -0.1667000     -0.5273000    
 C    10.97610       1.164500      8.8000000E-02
 C    1.237000      0.6236000     -0.2456000    
 C    2.486600      0.1015000      0.2587000    
 C   -9.774200     -0.4961000      1.8000000E-03
 H   -4.832400      8.1000000E-02   1.369300    
 H   -4.624200     -0.8214000     -0.1332000    
 H   -3.583100       1.205700      -1.196200    
 H   -3.769200       2.085600      0.3228000    
 H   -6.286600       1.732700      0.1860000    
 H   -6.062300      0.8585000      -1.330800    
 H   -2.124400     -0.4747000     -6.0400002E-02
 H   -2.328500      0.3737000       1.472800    
 H    7.568800      -1.268100     -0.2395000    
 H    7.274300     -0.3858000       1.255900    
 H   -7.118300      -1.175800     -0.3283000    
 H   -7.319500     -0.3272000       1.200800    
 H    5.807500       1.230200      9.7000003E-03
 H    6.086900      0.3022000      -1.469800    
 H    8.284100       1.668800      0.2127000    
 H    8.621600      0.7416000      -1.245700    
 H   -1.277600       2.425500      0.4800000    
 H   -1.081400       1.585300      -1.056700    
 H    4.821400     -0.8214000       1.080900    
 H    9.760100      0.1459000       1.537500    
 H    10.09700     -0.7960000      8.3099999E-02
 H   -8.593000      0.4822000      -1.467600    
 H   -8.774400       1.374400      6.7199998E-02
 H   0.2534000      0.7264000       1.613700    
 H    3.470100      1.9000000E-03  -1.600200    
 H    10.77090       2.171500      0.4649000    
 H    11.91780      0.8222000      0.5282000    
 H    11.11000       1.223800     -0.9968000    
 H    1.164600      0.7981000      -1.316200    
 H    2.558700     -7.4100003E-02   1.329100    
 H   -11.71260     -0.4981000     -0.2013000    
 H    3.501000      -2.982900     -0.4929000    


%chk=000001426-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001426

0 1
O 5.006597 -1.736245 -0.314302
O -11.120873 -0.249572 -0.734838
O 3.996636 -2.561322 0.465833
O -9.827240 -1.969576 0.135027
C -4.888539 0.133441 0.232372
C -3.746835 1.158370 0.049239
C -6.266392 0.668938 -0.217611
C -2.369280 0.614659 0.489160
C 7.479654 -0.179485 0.261986
C -7.400817 -0.361903 -0.029523
C 6.175792 0.357026 -0.368597
C 8.744185 0.472979 -0.339448
C -1.224438 1.649039 0.299589
C 4.900241 -0.309622 0.182241
C 10.054619 -0.056447 0.286785
C -8.765514 0.186956 -0.486357
C 0.114012 1.130300 0.767197
C 3.617821 0.298234 -0.318409
C 11.317853 0.594435 -0.317020
C 1.224623 0.987271 -0.018336
C 2.499827 0.453761 0.456034
C -9.898881 -0.804846 -0.313046
H -4.943061 -0.167934 1.299176
H -4.649367 -0.787770 -0.338421
H -3.696390 1.465087 -1.016536
H -3.980901 2.077302 0.626865
H -6.504056 1.591500 0.352822
H -6.210275 0.968603 -1.285372
H -2.127855 -0.301514 -0.085880
H -2.415074 0.312272 1.555833
H 7.521584 -1.276567 0.126239
H 7.459414 0.002503 1.356853
H -7.168098 -1.285003 -0.594269
H -7.463266 -0.663043 1.033830
H 6.087565 1.447599 -0.190445
H 6.203180 0.216571 -1.468658
H 8.695230 1.574762 -0.207116
H 8.765530 0.291947 -1.434719
H -1.490707 2.564520 0.870753
H -1.164982 1.944476 -0.766374
H 4.921707 -0.351822 1.288903
H 10.032743 0.121040 1.381526
H 10.101914 -1.156065 0.151732
H -8.738739 0.485074 -1.553238
H -9.032975 1.106639 0.070541
H 0.175241 0.830237 1.826502
H 3.592680 0.577392 -1.383093
H 11.310506 1.690602 -0.165381
H 12.239814 0.195782 0.145025
H 11.377661 0.407678 -1.406004
H 1.170082 1.282116 -1.077728
H 2.551532 0.161686 1.516767
H -11.843824 -0.923118 -0.610033
H 3.180838 -2.467239 -0.109076


