%chk=000059405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059405

0 1
 O  -0.2351000      -1.310500     -0.8090000    
 O    5.259200       1.739900     -8.2000002E-02
 N   -4.177600      0.5880000      3.2900002E-02
 N   0.5550000      -2.395600       1.052200    
 N  -0.7889000      -2.289800       1.177100    
 C   -2.816500      0.1606000      0.3549000    
 C   -2.555100      -1.233000     -0.1987000    
 C   -4.451800       1.901700      0.6140000    
 C   -4.374300      0.6187000      -1.416000    
 C   0.9367000      -1.914000     -0.2705000    
 C   -1.166300      -1.641900      0.1218000    
 C    2.088300     -0.9404000     -0.2205000    
 C   -4.252400       1.888300       2.120000    
 C   -5.801700       1.001800      -1.768200    
 C    3.399800      -1.398000     -0.3648000    
 C    1.846600      0.4219000     -2.9700000E-02
 C    4.464300     -0.4980000     -0.3182000    
 C    2.911100       1.322100      1.6700000E-02
 C    4.220200      0.8621000     -0.1276000    
 C    4.938600       3.116100      0.1157000    
 H   -2.661800      9.2600003E-02   1.437200    
 H   -2.072000      0.8703000     -3.0900000E-02
 H   -3.247700      -1.965600      0.2318000    
 H   -2.633300      -1.301100      -1.287100    
 H   -3.828400       2.686600      0.1673000    
 H   -5.498700       2.181400      0.4570000    
 H   -3.671600       1.298600      -1.913800    
 H   -4.248100     -0.3721000      -1.858800    
 H    1.187500      -2.755800     -0.9284000    
 H   0.8608000      -3.351800       1.220900    
 H   -4.741400       1.027700       2.589400    
 H   -3.195500       1.899400       2.403600    
 H   -4.697500       2.790700       2.554900    
 H   -5.986200      0.7964000      -2.829000    
 H   -5.997400       2.068300      -1.620700    
 H   -6.532100      0.4225000      -1.192900    
 H    3.603500      -2.455400     -0.5124000    
 H   0.8365000      0.8032000      9.4400004E-02
 H    5.481800     -0.8623000     -0.4307000    
 H    2.650700       2.363900      0.1698000    
 H    5.883200       3.669900      0.1251000    
 H    4.343200       3.513600     -0.7133000    
 H    4.461000       3.282400       1.087200    


%chk=000059405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059405

0 1
O -0.263661 -1.278460 -0.487249
O 5.374120 1.820597 -0.668220
N -4.203785 0.752243 -0.193417
N 0.661386 -2.178216 1.439202
N -0.772369 -2.156105 1.591864
C -2.806183 0.369136 0.124064
C -2.652104 -1.176087 0.225893
C -4.602329 2.052859 0.410557
C -4.498025 0.674621 -1.651073
C 1.034538 -1.875136 0.021102
C -1.244390 -1.592951 0.502304
C 2.177121 -0.899165 -0.118155
C -4.870014 1.954064 1.924559
C -5.990287 0.435977 -1.951712
C 3.062656 -0.990532 -1.222477
C 2.373942 0.126462 0.834028
C 4.115233 -0.072299 -1.380385
C 3.423889 1.057297 0.692123
C 4.296535 0.957835 -0.422648
C 5.605540 2.907228 0.287741
H -2.527217 0.806901 1.098806
H -2.080523 0.762494 -0.626713
H -3.296915 -1.549241 1.037770
H -2.994364 -1.639534 -0.718916
H -3.838365 2.847217 0.211070
H -5.531805 2.383467 -0.087747
H -4.144057 1.592387 -2.186229
H -3.916215 -0.167911 -2.069254
H 1.215752 -2.783138 -0.600786
H 1.088363 -2.998657 1.877400
H -5.672193 1.221618 2.120705
H -3.972426 1.630797 2.482333
H -5.178614 2.936921 2.327908
H -6.157846 0.357391 -3.042347
H -6.623951 1.259226 -1.575027
H -6.328765 -0.498378 -1.471224
H 2.922810 -1.783411 -1.968028
H 1.703667 0.172265 1.698867
H 4.806423 -0.129526 -2.226420
H 3.556110 1.840558 1.444348
H 6.481238 3.447766 -0.100120
H 4.736265 3.591220 0.337552
H 5.827415 2.513600 1.298649


