%chk=000072989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072989

0 1
 O    3.006400      -1.894600      -2.445900    
 O   -3.947700       2.918000      0.1056000    
 O   -5.625800      -1.058700       2.709300    
 O   -3.357200      -1.005000       2.742700    
 O   -4.526400      -3.273400      -2.434600    
 O   -6.208200      -1.751400      -2.484200    
 N    4.491300     -5.8100000E-02 -0.9979000    
 N    4.936200     -0.5888000       1.649100    
 N    2.336800       3.587100     -0.7459000    
 N    3.578800      -2.595600       1.426700    
 N    2.619100      -3.247300     -0.6300000    
 N   -3.242000      0.8087000      0.7613000    
 N    2.322900      -4.519900       1.325800    
 C    5.098200       1.019000     -0.2223000    
 C    4.030000       2.056400      0.1218000    
 C    5.766400      0.4433000       1.042900    
 C    3.368600       2.648500      -1.115700    
 C    3.975800      -1.192200     -0.4068000    
 C    4.162500      -1.465900      0.9040000    
 C    3.163900      -2.134600      -1.251200    
 C    1.023100       3.225900     -0.4906000    
 C    2.830400      -3.443500      0.6456000    
 C   -4.553700      0.2759000       1.051600    
 C   -5.216200     -0.3669000     -0.1729000    
 C   6.4599998E-02   4.192600     -0.1340000    
 C   0.6138000       1.882500     -0.5798000    
 C   -1.643100       2.491600      3.0600000E-02
 C   -1.256900       3.828600      0.1243000    
 C  -0.7078000       1.518500     -0.3215000    
 C   -4.489800      -1.581200     -0.7655000    
 C   -3.020800       2.111900      0.3012000    
 C   -4.416400     -0.6606000       2.234500    
 C   -5.176700      -2.170800      -1.978300    
 H    5.870100       1.502600     -0.8332000    
 H    3.266000       1.606700      0.7689000    
 H    4.483100       2.865800      0.7094000    
 H    5.982100       1.230500       1.773000    
 H    6.724200     -1.4500000E-02  0.7666000    
 H    4.313400      7.8699999E-02  -1.987100    
 H    2.999000       1.897700      -1.820600    
 H    4.133300       3.204500      -1.673200    
 H    5.082800     -0.8290000       2.623600    
 H    2.591900       4.562300     -0.6365000    
 H    3.729800      -2.776900       2.412600    
 H   -5.176300       1.115000       1.387200    
 H   -6.237800     -0.6699000      9.1399997E-02
 H   -5.321600      0.3931000     -0.9586000    
 H   0.3493000       5.239500     -5.5100001E-02
 H    1.300300       1.084500     -0.8461000    
 H   -2.452400      0.1959000      0.9368000    
 H   -1.969600       4.600900      0.4018000    
 H  -0.9720000      0.4712000     -0.4350000    
 H   -4.419700      -2.370600     -8.9999996E-03
 H   -3.477100      -1.293200      -1.068200    
 H    2.499800      -4.651600       2.315700    
 H    1.754100      -5.216400      0.8569000    
 H   -5.536200      -1.652100       3.485200    
 H   -4.978400      -3.669300      -3.210100    


%chk=000072989-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072989

0 1
O 0.405192 -0.861873 -1.872937
O -3.206435 2.225137 1.773839
O -5.100366 -1.776319 2.233338
O -2.841839 -1.849627 2.670986
O -2.897449 -4.037552 -2.491402
O -4.314404 -2.313696 -3.124487
N 3.121912 -0.139690 -1.517802
N 4.317479 -0.872486 0.979297
N 2.763059 3.848933 -0.497487
N 2.114602 -1.461759 1.780348
N 0.145689 -1.270057 0.429700
N -2.422773 0.276540 0.739021
N -0.028204 -1.796414 2.721382
C 4.414747 0.450194 -1.159987
C 4.272660 1.811189 -0.406285
C 5.134911 -0.593622 -0.225627
C 3.710666 3.000731 -1.249155
C 2.360362 -0.713171 -0.494844
C 2.935228 -0.995921 0.735619
C 0.928646 -0.981606 -0.709639
C 1.484785 3.376302 -0.144402
C 0.729815 -1.500575 1.616010
C -3.712847 -0.392699 0.826850
C -4.110126 -1.094653 -0.509797
C 0.824753 3.841360 1.036233
C 0.810652 2.421233 -0.956091
C -1.026270 2.266873 0.668973
C -0.413965 3.299054 1.428000
C -0.415596 1.877452 -0.549029
C -3.125971 -2.198153 -0.952218
C -2.295705 1.616460 1.119550
C -3.788133 -1.383694 1.990506
C -3.532186 -2.802869 -2.278688
H 5.014857 0.581331 -2.080656
H 3.577204 1.648963 0.438418
H 5.255862 2.088190 0.027000
H 6.122447 -0.223210 0.096449
H 5.277744 -1.529799 -0.792380
H 2.674250 -0.043917 -2.428874
H 3.201968 2.611779 -2.148458
H 4.532926 3.644653 -1.609920
H 4.588893 -0.363144 1.827816
H 3.183256 4.524503 0.143980
H 2.556505 -1.889136 2.595981
H -4.464769 0.390334 1.047158
H -5.126264 -1.514076 -0.398713
H -4.162604 -0.315154 -1.289174
H 1.303981 4.610680 1.656115
H 1.240430 2.084815 -1.901984
H -1.577061 -0.271056 0.472336
H -0.911008 3.647575 2.339990
H -0.893302 1.132533 -1.192428
H -3.043162 -3.012756 -0.208986
H -2.096278 -1.803052 -1.079796
H 0.367736 -1.742329 3.657301
H -1.058221 -1.824103 2.626162
H -5.124633 -2.429449 2.984711
H -3.145445 -4.373795 -3.395524


