%chk=000127031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127031

0 1
 O    4.256600      -1.827400      0.9094000    
 O    3.029700      1.4100000E-02   2.546400    
 O    3.997200      -1.901000      -1.800500    
 O    5.231200      0.4455000      -2.564700    
 O    1.986700      -3.058200      0.4276000    
 O    1.793500       2.282000      0.8538000    
 O    4.824900       1.845700       1.895300    
 O  -0.6546000       2.282400      0.6870000    
 O   -5.284700      -1.956800     -0.4970000    
 O   -5.794000       1.218400      -1.417400    
 O   -6.250200      0.9998000      0.8283000    
 C    3.246700     -0.9965000      0.3308000    
 C    3.118900      0.2919000       1.150500    
 C    3.581800     -0.6980000      -1.149600    
 C    1.971200      -1.830900      0.3870000    
 C    1.842400       1.055000      0.8353000    
 C   0.6767000      -1.110200      0.3542000    
 C   0.6185000      0.2700000      0.5462000    
 C    4.368800       1.155700      0.9844000    
 C    4.638300      0.3624000      -1.317800    
 C    5.019700       1.201700     -0.3489000    
 C  -0.6154000      0.9308000      0.4817000    
 C  -0.4993000      -1.832200      0.1122000    
 C   -1.801000      0.2188000      0.2350000    
 C   -1.742400      -1.181200      4.9899999E-02
 C   -3.044900      0.8682000      0.1709000    
 C   -2.929100      -1.891600     -0.1955000    
 C   -4.214000      0.1473000     -7.3100001E-02
 C   -4.156300      -1.230700     -0.2559000    
 C   -3.208200       2.350600      0.3516000    
 C    4.518900       1.338100      -3.397100    
 C   -5.509600      0.8182000     -0.1427000    
 C   -5.976200      -2.473800      0.6376000    
 C   -7.041600       1.892100      -1.614900    
 H    2.683900     -0.3573000      -1.679000    
 H    5.799900       1.938600     -0.5029000    
 H    4.064900      -1.912800       1.859200    
 H  -0.4571000      -2.909400     -3.9799999E-02
 H    2.970600      0.8595000       3.024300    
 H    4.761300      -2.252200      -1.311700    
 H   -2.899400      -2.970100     -0.3421000    
 H   0.1692000       2.690900      0.3789000    
 H   -2.651400       2.894700     -0.4192000    
 H   -4.231800       2.723300      0.2645000    
 H   -2.889600       2.651900       1.355500    
 H    4.509300       2.352500      -2.983000    
 H    3.493700      0.9926000      -3.568700    
 H    5.025200       1.377100      -4.366400    
 H   -5.372700      -3.244500       1.127400    
 H   -6.908500      -2.928600      0.2919000    
 H   -6.218300      -1.681500       1.352100    
 H   -7.872500       1.234700      -1.342000    
 H   -7.127000       2.146800      -2.674500    
 H   -7.069000       2.814500      -1.027200    


%chk=000127031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127031

0 1
O 4.401652 -1.706960 0.737593
O 3.102921 -0.032088 2.728145
O 3.857801 -1.676354 -1.803315
O 4.763816 1.025011 -2.553425
O 2.053458 -2.944698 0.948711
O 1.936133 2.479761 1.148746
O 5.061914 1.654286 2.159190
O -0.512959 2.556402 0.755107
O -5.415997 -1.603889 -0.215218
O -5.924849 1.345623 -1.359415
O -6.338361 1.346824 0.932926
C 3.239950 -0.888710 0.433475
C 3.190667 0.368974 1.333267
C 3.386120 -0.493459 -1.084078
C 1.956364 -1.714050 0.674867
C 1.915034 1.188573 1.037440
C 0.678585 -0.969652 0.607942
C 0.690968 0.471813 0.724187
C 4.478172 1.206481 1.122744
C 4.353193 0.685907 -1.282160
C 4.893125 1.417875 -0.244047
C -0.542161 1.199916 0.619517
C -0.519955 -1.641862 0.414683
C -1.800042 0.519589 0.390891
C -1.762804 -0.929591 0.302096
C -3.071159 1.204964 0.260721
C -2.961657 -1.668836 0.096474
C -4.230763 0.435496 0.055935
C -4.181357 -0.995076 -0.021281
C -3.198907 2.714682 0.333415
C 4.108924 0.454080 -3.757462
C -5.593275 1.077787 -0.034179
C -5.463221 -3.071204 -0.270275
C -7.271428 1.936554 -1.574719
H 2.398483 -0.248362 -1.514950
H 5.650898 2.178541 -0.451597
H 4.071748 -2.500516 1.247509
H -0.509388 -2.734099 0.337962
H 3.805468 0.523284 3.191553
H 4.488198 -2.121348 -1.161634
H -2.902351 -2.758787 0.035611
H 0.494722 2.832792 0.941682
H -2.554053 3.205786 -0.413646
H -4.239290 3.036299 0.170320
H -2.865142 3.093887 1.313648
H 3.075446 0.837840 -3.840116
H 4.114623 -0.645236 -3.715565
H 4.713275 0.830598 -4.594617
H -4.877363 -3.453499 -1.127262
H -6.525930 -3.316430 -0.403890
H -5.090382 -3.513186 0.672604
H -8.048071 1.238030 -1.221651
H -7.337146 2.091722 -2.660245
H -7.362747 2.889415 -1.026912


