%chk=000003405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003405

0 1
 O    7.863900       2.105700      -1.367300    
 O    4.249900       1.458200       2.086400    
 O    5.860300       1.788600      -2.384500    
 O    7.468900      -3.574900     -0.9839000    
 O    8.206100      -2.622500      0.9389000    
 O   -6.589000       2.327500      0.4909000    
 N    4.707800      0.9130000     -0.1208000    
 N   -1.639100      2.2000000E-03  0.1226000    
 N   -4.759700      0.3856000      0.6113000    
 N   -7.669600      -1.289400     -0.8254000    
 N   -5.493100      -2.163800     -0.3085000    
 N   -8.223800      0.9915000     -0.4182000    
 N   -9.767200     -0.5139000      -1.341200    
 C    6.131500       1.126500     -5.6600001E-02
 C    6.899800     -0.1291000      0.3732000    
 C    6.788700      -1.335500     -0.5679000    
 C    3.874300       1.099800      0.9732000    
 C    2.433800      0.8124000      0.7510000    
 C    6.572200       1.685000      -1.394000    
 C  -0.2712000      0.2734000      0.3336000    
 C   -2.521600     -0.4032000       1.172500    
 C    1.627900      0.4195000       1.819600    
 C    1.887100      0.9359000     -0.5263000    
 C   0.2754000      0.1500000       1.611000    
 C   0.5345000      0.6664000     -0.7350000    
 C   -3.903100     -0.6520000      0.6336000    
 C    7.554000      -2.551900     -9.3400002E-02
 C   -5.985500      0.1140000      0.1195000    
 C   -6.368000      -1.135900     -0.3393000    
 C   -4.262900      -1.902800      0.1822000    
 C   -6.955400       1.231000      7.9599999E-02
 C   -8.527100     -0.2112000     -0.8368000    
 H    6.309800       1.915800      0.6850000    
 H    6.554500     -0.4326000       1.370500    
 H    7.962200      0.1236000      0.4871000    
 H    5.737800      -1.627700     -0.6703000    
 H    7.176800      -1.065500      -1.556300    
 H    4.337900      0.5365000     -0.9875000    
 H   -2.590100      0.3770000       1.941100    
 H   -2.164600      -1.317300       1.663400    
 H    2.036700      0.3140000       2.821200    
 H    2.471200       1.269200      -1.378900    
 H   -1.992000      0.1134000     -0.8219000    
 H  -0.3154000     -0.1518000       2.470600    
 H   0.1186000      0.7730000      -1.733600    
 H   -3.579500      -2.744000      0.1943000    
 H    8.143500       2.482100      -2.228900    
 H   -7.947900      -2.203200      -1.160000    
 H    7.978300      -4.359500     -0.6887000    
 H   -9.993700      -1.448500      -1.662900    
 H   -10.49370      0.1908000      -1.405400    


%chk=000003405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003405

0 1
O 7.911709 2.450723 -0.747659
O 4.524929 0.202707 2.255647
O 5.840880 2.569277 -1.789354
O 7.236449 -2.909815 -2.539625
O 8.059558 -2.849812 -0.369733
O -4.872348 0.094740 -2.874703
N 4.686837 0.926595 0.063433
N -1.753337 -0.086156 0.653923
N -4.263761 -0.269777 -0.084253
N -7.909733 -0.686663 -0.199686
N -6.450999 -0.803752 1.652531
N -7.152940 -0.243712 -2.450520
N -9.418737 -0.582563 -2.017994
C 6.134826 1.112280 0.189000
C 6.938165 -0.222283 0.092731
C 6.709128 -0.957388 -1.238089
C 3.943069 0.480336 1.152424
C 2.466923 0.346903 0.965963
C 6.568968 2.107436 -0.879396
C -0.380172 0.051953 0.776432
C -2.645535 -0.369538 1.761623
C 1.681522 0.066886 2.114125
C 1.799524 0.468947 -0.286804
C 0.287806 -0.076176 2.033865
C 0.408735 0.324898 -0.385054
C -4.074864 -0.457888 1.250094
C 7.407740 -2.301023 -1.284014
C -5.531316 -0.342922 -0.579208
C -6.614204 -0.612030 0.310359
C -5.174464 -0.724449 2.112499
C -5.796514 -0.143740 -2.053846
C -8.119378 -0.496519 -1.573965
H 6.356764 1.540324 1.186992
H 6.616980 -0.853501 0.938156
H 8.010043 -0.000459 0.234976
H 5.627980 -1.131437 -1.403517
H 7.057605 -0.368195 -2.108874
H 4.243514 1.321059 -0.770061
H -2.589112 0.418111 2.547304
H -2.381676 -1.326305 2.267609
H 2.202726 -0.037483 3.071754
H 2.358763 0.655444 -1.211703
H -2.222039 0.004025 -0.256947
H -0.282036 -0.288824 2.944219
H -0.085855 0.415216 -1.359319
H -5.031503 -0.876871 3.187420
H 8.163139 3.098099 -1.460940
H -8.662550 -0.882106 0.466340
H 7.694713 -3.793969 -2.536309
H -10.213487 -0.771762 -1.412796
H -9.562234 -0.443440 -3.016247


