%chk=000123613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123613

0 1
 O    5.452000      0.9908000     -0.4080000    
 O    3.834500      -2.140500     -0.8410000    
 O    2.017900       3.396900      0.1702000    
 O    6.178000     -0.9886000      -1.177900    
 O   -7.122400      0.6971000      2.7500000E-02
 O   -5.343300       1.989200      8.1600003E-02
 N   0.6356000       1.546600      5.8200002E-02
 N   -1.499900      -1.345900     -6.9200002E-02
 N   -5.882000      0.8610000      3.2600001E-02
 C    4.063600     -0.9987000     -1.1900000E-02
 C    2.871900     -8.1500001E-02 -1.3000000E-02
 C   0.4813000      0.1715000     -4.1000000E-03
 C    3.049100       1.249900      6.0600001E-02
 C  -0.6757000       2.226700      8.8399999E-02
 C    1.533000     -0.6507000     -3.5799999E-02
 C   -1.628100       1.077900      3.7300002E-02
 C  -0.9435000     -0.1279000     -1.6400000E-02
 C    1.864500       2.179800      0.1004000    
 C    4.388000      -1.507300       1.393300    
 C    4.414400       1.844700      0.1217000    
 C    5.308700     -0.3418000     -0.5961000    
 C   -3.002600       1.051400      3.7500001E-02
 C   -3.642500     -0.1981000     -1.6600000E-02
 C    5.610000      -2.404100       1.386100    
 C   -2.848300      -1.378600     -6.9200002E-02
 C   -5.043300     -0.2913000     -1.8800000E-02
 C   -3.504100      -2.604100     -0.1219000    
 C   -5.668200      -1.534200     -7.1999997E-02
 C   -4.898500      -2.690000     -0.1236000    
 H  -0.7542000       2.882100     -0.7841000    
 H  -0.7547000       2.802600       1.015200    
 H    1.407100      -1.726900     -7.0699997E-02
 H    4.563600     -0.6735000       2.084600    
 H    3.544000      -2.084500       1.793000    
 H    4.681000       2.100300       1.152500    
 H    4.456000       2.763000     -0.4732000    
 H   -3.403500       2.046500      8.2000002E-02
 H    5.722000      -2.866700       2.373400    
 H    6.532200      -1.843700       1.205700    
 H    5.543300      -3.218900      0.6594000    
 H    3.561200      -2.894200     -0.2919000    
 H   -2.926400      -3.525800     -0.1629000    
 H   -6.748600      -1.650800     -7.5499997E-02
 H   -5.379800      -3.662900     -0.1653000    


%chk=000123613-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123613

0 1
O 5.385922 0.892116 -0.687164
O 3.780050 -2.438723 -0.537994
O 2.008327 3.328689 0.280505
O 5.908008 -1.143870 -1.590898
O -7.411120 0.698757 -0.034736
O -5.659654 2.131265 0.107033
N 0.656438 1.418975 0.145468
N -1.613510 -1.368573 -0.089911
N -6.142588 0.935505 0.006443
C 4.093836 -1.142234 0.047993
C 2.849237 -0.260012 0.052471
C 0.462272 0.037785 0.042609
C 3.039522 1.120499 0.141176
C -0.617095 2.188675 0.179401
C 1.541243 -0.832363 -0.008278
C -1.652137 1.089374 0.084716
C -0.988710 -0.186470 0.005146
C 1.921614 2.059259 0.195499
C 4.606786 -1.354318 1.516364
C 4.429364 1.698747 0.142630
C 5.197818 -0.470949 -0.810769
C -3.038082 1.149845 0.066256
C -3.773588 -0.087389 -0.033320
C 5.879036 -2.218101 1.607721
C -3.001972 -1.328576 -0.110621
C -5.210385 -0.229132 -0.066050
C -3.663619 -2.593188 -0.214368
C -5.831976 -1.482402 -0.168256
C -5.056620 -2.669617 -0.243315
H -0.644928 2.906459 -0.661073
H -0.675839 2.780522 1.111280
H 1.399830 -1.907762 -0.114507
H 4.768950 -0.374359 2.004867
H 3.776595 -1.849394 2.054437
H 4.864827 1.771040 1.157401
H 4.435692 2.702801 -0.308257
H -3.579740 2.093400 0.123820
H 6.144831 -2.387773 2.666193
H 6.744572 -1.740124 1.114886
H 5.715220 -3.202380 1.136861
H 4.508219 -2.649421 -1.188086
H -3.029065 -3.482211 -0.269641
H -6.923951 -1.520325 -0.188392
H -5.560330 -3.637248 -0.323441


