%chk=000001831.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001831

0 1
 O    3.066700      -1.103300      -1.518600    
 O    8.483900       1.614100      0.7434000    
 O    7.600900       1.001100      -1.259600    
 C   -4.109000       3.370200      -1.038200    
 C   -2.870400       2.683700     -0.4492000    
 C   -5.453200       2.879800     -0.4866000    
 C   -2.614800       2.877400       1.046000    
 C   -5.692600       1.412100     -0.6819000    
 C   -1.321700       2.244200       1.534400    
 C   -5.795200      0.5307000      0.3242000    
 C    5.308100     -7.9999998E-02 -0.1613000    
 C    4.083400     -0.5739000      0.6073000    
 C   -6.029500     -0.9365000      0.1206000    
 C    6.380700      0.4925000      0.7612000    
 C   -4.858400      -1.751800      0.5854000    
 C    2.969500      -1.080000     -0.2944000    
 C   -4.051300      -2.511800     -0.1716000    
 C   -2.880300      -3.327200      0.2929000    
 C    7.532800       1.044700     -3.8100000E-02
 C    1.723500      -1.514900      0.4012000    
 C   -1.602300      -2.879200     -0.3542000    
 C   0.6781000      -1.978400     -0.2964000    
 C  -0.5488000      -2.413200      0.3336000    
 H   -4.098100       3.226300      -2.126300    
 H   -4.033000       4.451100     -0.8678000    
 H   -2.905400       1.609800     -0.6702000    
 H   -1.997300       3.067600     -0.9935000    
 H   -5.527400       3.145800      0.5748000    
 H   -6.259400       3.426100     -0.9914000    
 H   -2.588700       3.950400       1.270100    
 H   -3.446900       2.454400       1.619500    
 H   -5.779600       1.065100      -1.708600    
 H   -1.326900       1.163500       1.359500    
 H  -0.4573000       2.671400       1.016300    
 H   -1.195200       2.415600       2.607700    
 H   -5.709400      0.8797000       1.350700    
 H    5.726300     -0.9044000     -0.7534000    
 H    4.995400      0.6856000     -0.8836000    
 H    4.376700      -1.390300       1.277400    
 H    3.679500      0.2458000       1.213100    
 H   -6.917300      -1.235600      0.6900000    
 H   -6.249700      -1.153900     -0.9318000    
 H    5.960900       1.306200       1.362600    
 H    6.761300     -0.2892000       1.426800    
 H   -4.656200      -1.712000       1.655000    
 H   -4.261400      -2.559500      -1.239400    
 H   -2.799900      -3.290600       1.386200    
 H   -3.057300      -4.376300      2.8400000E-02
 H    1.706000      -1.441700       1.483800    
 H   -1.549200      -2.955700      -1.438600    
 H   0.7221000      -2.043300      -1.380500    
 H  -0.6043000      -2.344500       1.417100    
 H    9.224800       1.977000      0.2127000    


%chk=000001831-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001831

0 1
O 2.934084 -0.855308 -1.489662
O 8.540920 1.460988 1.088511
O 7.642308 1.385095 -1.050882
C -4.194223 3.401521 -1.033037
C -2.869743 2.639747 -0.783270
C -5.394724 2.921089 -0.164740
C -2.286109 2.823331 0.637262
C -5.743835 1.466727 -0.403555
C -0.921563 2.120346 0.809778
C -5.791209 0.500938 0.550084
C 5.201062 0.115954 -0.082905
C 4.009763 -0.484865 0.681760
C -6.101523 -0.966403 0.288164
C 6.331907 0.527723 0.877328
C -4.937874 -1.857984 0.694070
C 2.859634 -0.942513 -0.224749
C -4.200756 -2.612084 -0.160257
C -2.999282 -3.455389 0.252716
C 7.520117 1.149850 0.169686
C 1.666356 -1.491136 0.466334
C -1.716640 -2.910813 -0.340951
C 0.564952 -1.934987 -0.225190
C -0.637525 -2.476445 0.383751
H -4.472169 3.300775 -2.102641
H -4.036255 4.484444 -0.850841
H -3.026121 1.557877 -0.969858
H -2.117042 2.981436 -1.523429
H -5.180888 3.083502 0.908985
H -6.270799 3.557284 -0.411149
H -2.177788 3.907128 0.850301
H -2.998359 2.425206 1.387020
H -5.955875 1.188888 -1.449751
H -1.009170 1.033373 0.621282
H -0.176302 2.520977 0.096683
H -0.520598 2.257213 1.831659
H -5.567372 0.770158 1.594876
H 5.574735 -0.612592 -0.823876
H 4.866773 0.986831 -0.673947
H 4.330839 -1.358950 1.289263
H 3.599687 0.244371 1.413411
H -7.003581 -1.260989 0.866107
H -6.338567 -1.115759 -0.781932
H 5.974409 1.258684 1.630255
H 6.703916 -0.338417 1.459524
H -4.672414 -1.850250 1.763489
H -4.448207 -2.608901 -1.233079
H -2.923009 -3.493158 1.355150
H -3.147741 -4.498084 -0.101964
H 1.687283 -1.529905 1.564688
H -1.676069 -2.843019 -1.439630
H 0.605719 -1.868064 -1.323228
H -0.671864 -2.531659 1.482103
H 9.303933 1.870912 0.596980


