%chk=000056589.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056589

0 1
 O    3.649400       2.209400     -0.2507000    
 O    3.920400      -2.838200     -0.3357000    
 O   -5.376700     -0.9620000     -0.6685000    
 N  -1.3300000E-02   2.258300      2.0300001E-02
 C  -0.2161000      0.9526000      0.6805000    
 C   0.8967000     -5.8300000E-02  0.4009000    
 C    2.318200       1.803400     -0.5616000    
 C    2.113200      0.3553000     -0.1803000    
 C    1.355000       2.730800      0.1782000    
 C   -1.604600      0.4380000      0.3175000    
 C   0.7507000      -1.403700      0.7847000    
 C    3.113300     -0.5954000     -0.4426000    
 C    2.937800      -1.930800     -8.4500000E-02
 C    1.761400      -2.332700      0.5382000    
 C   -2.562400      0.2775000       1.313000    
 C   -1.901800      0.1322000      -1.006300    
 C   -3.832400     -0.1943000      0.9807000    
 C   -3.171800     -0.3394000      -1.338600    
 C   -4.137000     -0.5028000     -0.3451000    
 H  -0.1810000       1.134300       1.764600    
 H    2.179200       1.902200      -1.645000    
 H    1.618600       2.818300       1.240900    
 H    1.445900       3.742800     -0.2342000    
 H  -0.6566000       2.940000      0.4230000    
 H  -0.1556000      -1.744500       1.278900    
 H    4.037900     -0.2864000     -0.9256000    
 H    1.622000      -3.369100      0.8333000    
 H   -2.339100      0.5133000       2.349700    
 H   -1.161200      0.2529000      -1.792400    
 H    3.822600       1.994500      0.6821000    
 H   -4.580200     -0.3194000       1.759000    
 H   -3.396500     -0.5762000      -2.375200    
 H    4.664400      -2.386300     -0.7697000    
 H   -5.412400      -1.123900      -1.626900    


%chk=000056589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056589

0 1
O 3.785029 2.236445 -0.318933
O 3.958675 -2.914555 -0.229435
O -5.486416 -1.010372 -0.612991
N 0.038968 2.227582 -0.033889
C -0.226687 0.969106 0.699931
C 0.900776 -0.038205 0.407265
C 2.384757 1.829543 -0.560444
C 2.133203 0.372670 -0.170342
C 1.394599 2.764347 0.163260
C -1.617308 0.447299 0.338735
C 0.737326 -1.401791 0.761204
C 3.163529 -0.576250 -0.389017
C 2.973481 -1.928096 -0.033923
C 1.755023 -2.348478 0.547843
C -2.575727 0.165228 1.342434
C -1.972503 0.237411 -1.016817
C -3.859132 -0.320607 1.014413
C -3.250253 -0.245225 -1.363293
C -4.193250 -0.526524 -0.342317
H -0.218435 1.140601 1.809514
H 2.269318 1.960660 -1.650164
H 1.688126 2.835984 1.243158
H 1.461991 3.776470 -0.270050
H -0.712408 2.915591 0.085132
H -0.212850 -1.727945 1.199050
H 4.106478 -0.232351 -0.833680
H 1.625944 -3.401296 0.814646
H -2.318880 0.330292 2.396435
H -1.237864 0.463731 -1.796331
H 3.991304 2.084223 0.639723
H -4.605089 -0.539476 1.783866
H -3.512610 -0.403764 -2.417909
H 4.761238 -2.526039 -0.658164
H -5.622352 -1.123812 -1.586308


