%chk=000125270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125270

0 1
 O    2.171300     -0.5629000      0.7509000    
 O    1.492200       1.668100      0.8257000    
 O    5.944400      0.4919000     -0.4811000    
 O    5.037200      -2.233900     -0.8010000    
 O    3.698000       2.371200     -0.8014000    
 O    1.236300      -3.146900      0.8193000    
 O   -5.485800      0.2906000     -0.2044000    
 O   -4.223100      -3.034700      -1.489000    
 O   -4.817300      -2.494700      0.6409000    
 N   -3.857600       1.977300     -0.3444000    
 C    4.575100      0.1275000     -0.6613000    
 C    4.363700      -1.246400     -2.4900001E-02
 C    3.678100       1.181800     -1.2500000E-02
 C    2.873600      -1.588400      4.6399999E-02
 C    2.231800      0.6969000      8.6199999E-02
 C    2.630300      -2.901800      0.7831000    
 C   -3.147200     -0.1438000      0.4319000    
 C   -2.014300      0.8396000      0.3586000    
 C   0.1637000       1.787400      0.5221000    
 C   -2.493300       2.067400     -9.3199998E-02
 C  -0.6776000      0.6838000      0.6765000    
 C   -4.339600      0.6923000     -7.2999999E-02
 C   -2.939200      -1.374000     -0.4347000    
 C  -0.3288000       3.019900      6.2100001E-02
 C   -1.680100       3.171500     -0.2529000    
 C   -4.091800      -2.339600     -0.3299000    
 H    4.404700      8.9699998E-02  -1.744400    
 H    4.810000      -1.256300      0.9772000    
 H    4.064100       1.451600      0.9777000    
 H    2.440900      -1.679000     -0.9594000    
 H    1.801700      0.6027000     -0.9221000    
 H    2.988400      -2.854400       1.816900    
 H    3.114900      -3.743600      0.2804000    
 H   -3.340400     -0.4018000       1.480000    
 H    6.487100     -0.2032000     -0.8914000    
 H    4.642900      -2.237600      -1.689900    
 H    3.356200       2.152900      -1.685200    
 H  -0.3172000     -0.2663000       1.051700    
 H   -2.830300      -1.072800      -1.484900    
 H   -2.029600      -1.912300     -0.1450000    
 H   -4.417600       2.748300     -0.6883000    
 H   0.3450000       3.865500     -5.0700001E-02
 H   -2.066100       4.119900     -0.6081000    
 H   0.8181000      -2.399600       1.279900    
 H   -4.967700      -3.672200      -1.450500    


%chk=000125270-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000125270

0 1
O 2.248645 -0.365152 0.795962
O 1.559349 1.820651 0.313779
O 5.876969 0.356090 -1.139119
O 5.237679 -2.403338 -0.333448
O 3.616808 2.034551 -1.704539
O 1.327790 -2.867657 1.721470
O -5.638597 0.232846 -0.001778
O -4.588264 -2.838673 -2.063911
O -4.213030 -2.973933 0.224205
N -4.050359 1.958536 0.342139
C 4.507536 -0.127735 -0.953350
C 4.434306 -1.242259 0.103541
C 3.673317 1.110625 -0.576018
C 2.958539 -1.598590 0.377181
C 2.233082 0.694650 -0.244566
C 2.749541 -2.585621 1.531030
C -3.160909 -0.231173 0.127201
C -2.051823 0.805302 0.205617
C 0.139333 1.826946 0.315344
C -2.637209 2.089862 0.363983
C -0.656172 0.657242 0.190142
C -4.455254 0.629367 0.147022
C -3.128770 -1.184737 -1.090101
C -0.446028 3.102295 0.478582
C -1.851395 3.247539 0.510059
C -4.023700 -2.393772 -0.866071
H 4.113982 -0.530488 -1.918031
H 4.927175 -0.915033 1.035332
H 4.121257 1.586325 0.320576
H 2.480449 -2.001400 -0.547960
H 1.707943 0.315065 -1.150945
H 3.209557 -2.170104 2.451891
H 3.223798 -3.551721 1.297805
H -3.176204 -0.863558 1.039595
H 6.472961 -0.432812 -1.224687
H 4.794888 -2.830630 -1.113407
H 4.552524 2.247955 -1.956349
H -0.191102 -0.330561 0.114126
H -3.416949 -0.673724 -2.022367
H -2.097969 -1.566292 -1.227283
H -4.715019 2.730592 0.394386
H 0.214169 3.969313 0.569609
H -2.300322 4.237940 0.635587
H 0.884208 -2.010794 1.952742
H -5.161629 -3.632335 -1.881077


