%chk=000137333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137333

0 1
 O   -3.276700       2.706300      0.3361000    
 O   -4.704400      -1.796000     -0.1435000    
 N    2.550900     -0.2234000     -0.2053000    
 C    1.180100      0.2251000      0.1456000    
 C   0.1382000     -0.8354000     -0.3325000    
 C   0.4508000      -2.186200      0.3399000    
 C   0.8012000       1.580600     -0.4755000    
 C    1.895900      -2.594000      8.3999999E-02
 C   -1.306400     -0.3773000     -0.1487000    
 C    2.868100      -1.489900      0.4769000    
 C  -0.5504000       2.046400      5.8100000E-02
 C   -1.617800      0.9879000      3.1000001E-03
 C    3.580800      0.7640000      0.1306000    
 C   -2.370800      -1.295000     -0.2182000    
 C   -2.956700       1.392100      0.1496000    
 C    4.957800      0.2579000     -0.2916000    
 C   -3.697900     -0.8814000     -8.2800001E-02
 C   -3.991000      0.4622000      0.1085000    
 C    6.048300       1.256000      6.5800004E-02
 H    1.112000      0.3277000       1.239600    
 H   0.2640000     -0.9663000      -1.418600    
 H  -0.1915000      -2.986700     -4.0600002E-02
 H   0.2689000      -2.118600       1.420300    
 H   0.7706000       1.498500      -1.570000    
 H    1.518700       2.369100     -0.2311000    
 H    2.124200      -3.507000      0.6463000    
 H    2.022100      -2.836000     -0.9793000    
 H    2.869300      -1.362500       1.567400    
 H    3.838100      -1.897600      0.1876000    
 H  -0.8435000       2.918500     -0.5389000    
 H  -0.4343000       2.369100       1.100500    
 H    3.418600       1.697000     -0.4170000    
 H    3.570500      0.9993000       1.202500    
 H   -2.175600      -2.349500     -0.3916000    
 H    5.257800     -0.6575000      0.2225000    
 H    4.981300      6.1400000E-02  -1.370000    
 H   -5.022700      0.7859000      0.2184000    
 H    5.882400       2.214300     -0.4369000    
 H    6.079900       1.435300       1.145400    
 H    7.027500      0.8774000     -0.2444000    
 H   -2.505000       3.209300      0.6393000    
 H   -4.321900      -2.679800     -0.2797000    


%chk=000137333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000137333

0 1
O -3.334984 2.726361 0.451074
O -4.797485 -1.748505 -0.366537
N 2.572879 -0.298210 -0.108016
C 1.190180 0.176490 0.230244
C 0.149409 -0.856580 -0.299746
C 0.393862 -2.233920 0.369439
C 0.853575 1.565381 -0.350116
C 1.845730 -2.685294 0.123404
C -1.302209 -0.367345 -0.164266
C 2.843810 -1.600755 0.561129
C -0.506269 2.052137 0.192974
C -1.600505 1.001869 0.070446
C 3.641140 0.695511 0.197477
C -2.368250 -1.291352 -0.315272
C -2.966309 1.392484 0.185686
C 5.053904 0.258834 -0.252241
C -3.711400 -0.863761 -0.217324
C -4.027286 0.482079 0.043467
C 6.047855 1.440728 -0.208951
H 1.075182 0.239601 1.349369
H 0.374081 -0.973281 -1.382842
H -0.299809 -2.998221 -0.024945
H 0.195497 -2.148976 1.457399
H 0.829876 1.498475 -1.455048
H 1.614351 2.316351 -0.077554
H 2.059682 -3.621704 0.674143
H 1.992287 -2.889620 -0.955045
H 2.800128 -1.487477 1.678405
H 3.865475 -1.925148 0.303634
H -0.781380 2.972069 -0.368510
H -0.379048 2.355158 1.255401
H 3.409872 1.628688 -0.343931
H 3.667545 0.948608 1.291823
H -2.155154 -2.347958 -0.516076
H 5.440752 -0.555331 0.389260
H 4.984463 -0.142523 -1.281963
H -5.064249 0.812537 0.130545
H 5.743380 2.244278 -0.905677
H 6.104400 1.878266 0.806142
H 7.065592 1.116467 -0.492023
H -2.535040 3.301764 0.537089
H -4.474128 -2.666978 -0.540665


