%chk=000015525.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015525

0 1
 O   0.7017000       2.129700      -1.292500    
 O  -0.2328000      -2.363900     -0.4536000    
 O   -4.612400      0.4740000      0.9447000    
 N   9.4700001E-02 -6.7199998E-02 -0.7898000    
 N   -2.261300     -0.2131000     -0.5052000    
 C    2.797600     -0.5095000     -2.4499999E-02
 C    2.171200      0.8929000      0.1969000    
 C    1.669500      -1.354800      0.5968000    
 C    1.649600      0.8391000       1.654600    
 C    1.327000     -0.6391000       1.912900    
 C   0.9313000       1.068600     -0.7095000    
 C   0.4186000      -1.335600     -0.2702000    
 C    4.118300     -0.7248000      0.7545000    
 C    3.101900     -0.8574000      -1.494100    
 C    3.135600       2.064300     -1.1000000E-03
 C   -1.192100      8.4100001E-02  -1.456100    
 C   -2.218100      0.7132000      0.6347000    
 C   -3.575300     -0.1453000      -1.159600    
 C   -3.349600      0.3910000       1.606600    
 C   -4.675400     -0.4463000     -0.1456000    
 H    1.964500      -2.396100      0.7650000    
 H   0.7692000       1.472000       1.808900    
 H    2.410300       1.176500       2.368700    
 H    1.951600      -1.017700       2.730200    
 H   0.2843000     -0.7777000       2.216600    
 H    4.936600     -0.1442000      0.3140000    
 H    4.050900     -0.4389000       1.807900    
 H    4.414900      -1.779800      0.7240000    
 H    3.902900     -0.2214000      -1.887600    
 H    3.432300      -1.899000      -1.581500    
 H    2.246100     -0.7383000      -2.163500    
 H    3.995500       2.006900      0.6735000    
 H    3.512400       2.097200      -1.029100    
 H    2.639100       3.021800      0.1954000    
 H   -1.213800     -0.6473000      -2.273400    
 H   -1.305900       1.081600      -1.894800    
 H   -2.321200       1.749500      0.2867000    
 H   -1.284600      0.6348000       1.192700    
 H   -3.632500     -0.8764000      -1.974000    
 H   -3.736700      0.8533000      -1.586400    
 H   -3.232100     -0.6060000       2.048500    
 H   -3.355800       1.117400       2.425600    
 H   -5.657100     -0.3366000     -0.6173000    
 H   -4.603600      -1.471900      0.2365000    


%chk=000015525-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015525

0 1
O 0.562512 2.273463 -0.542518
O -0.262981 -2.296036 -0.946845
O -4.844071 0.474344 0.823195
N 0.134778 -0.003841 -0.756639
N -2.300888 0.300766 -0.516649
C 2.865841 -0.576194 -0.115680
C 2.219170 0.743003 0.467973
C 1.744644 -1.591165 0.281791
C 1.724637 0.288096 1.897202
C 1.427191 -1.239424 1.777693
C 0.936185 1.086763 -0.323540
C 0.478475 -1.361651 -0.531979
C 4.189990 -0.937818 0.604966
C 3.154547 -0.526436 -1.635873
C 3.137432 1.973757 0.514079
C -1.176649 0.288570 -1.440615
C -2.903428 1.621672 -0.224354
C -3.313683 -0.765115 -0.693914
C -3.809410 1.505868 1.013709
C -4.209035 -0.829050 0.554534
H 2.036832 -2.645382 0.146448
H 0.840537 0.866394 2.217542
H 2.524098 0.489536 2.632432
H 2.080814 -1.830484 2.441798
H 0.385076 -1.490252 2.039467
H 4.995697 -0.239139 0.317531
H 4.103774 -0.918949 1.704813
H 4.511029 -1.953967 0.308542
H 3.919308 0.239684 -1.859382
H 3.549625 -1.500021 -1.980157
H 2.260693 -0.295737 -2.241078
H 4.010375 1.780875 1.161610
H 3.497993 2.248301 -0.493258
H 2.591707 2.846736 0.908833
H -1.301224 -0.502092 -2.199849
H -1.041150 1.268595 -1.929150
H -3.514836 1.991561 -1.083742
H -2.096521 2.352647 -0.035514
H -2.794035 -1.729853 -0.834279
H -3.957228 -0.574239 -1.587439
H -3.190676 1.254292 1.902741
H -4.359591 2.443963 1.195618
H -5.041911 -1.537807 0.414619
H -3.598345 -1.134636 1.431819


