%chk=000048395.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048395

0 1
 O   -3.221900       2.255400     -0.5505000    
 O  -0.8985000      -1.186800       1.641000    
 O   -4.573300      -2.112000     -0.9465000    
 N   -3.835800      6.2300000E-02 -0.8267000    
 N   -2.675500      -1.657100      0.2687000    
 C   -1.627400      0.5564000      0.1212000    
 C   -1.062400       1.575000       1.121900    
 C  -0.6708000      0.4379000      -1.078700    
 C   -2.962100       1.059500     -0.4196000    
 C   -1.694000     -0.8193000      0.7769000    
 C   -1.994100       1.754300       2.301000    
 C   0.6725000     -4.7600001E-02 -0.6376000    
 C   -3.743000      -1.295200     -0.5442000    
 C    1.801500      0.6546000     -0.8220000    
 C    3.150100      0.2103000     -0.4327000    
 C    3.288400     -0.7869000      0.5201000    
 C    4.256900      0.7972000      -1.025800    
 C    4.566000      -1.207700      0.8894000    
 C    5.534400      0.3762000     -0.6566000    
 C    5.688900     -0.6263000      0.3009000    
 H  -0.9096000       2.549600      0.6409000    
 H  -8.7099999E-02   1.267000       1.517000    
 H   -1.062400     -0.2723000      -1.819100    
 H  -0.5931000       1.401700      -1.599400    
 H   -2.971700       2.150500       2.012900    
 H   -2.154100      0.8239000       2.853700    
 H   -1.557300       2.471900       3.004700    
 H   0.7204000      -1.059900     -0.2503000    
 H   -4.673700      0.3645000      -1.315800    
 H   -2.658000      -2.622100      0.5867000    
 H    1.744000       1.639000      -1.281400    
 H    2.444200      -1.250500       1.020800    
 H    4.152800       1.578300      -1.774200    
 H    4.687100      -1.984400       1.638900    
 H    6.409100      0.8288000      -1.114600    
 H    6.683700     -0.9530000      0.5894000    


%chk=000048395-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048395

0 1
O -2.909583 2.246912 -1.024644
O -1.137403 -1.440949 1.587621
O -5.208746 -1.770798 -0.620146
N -4.001985 0.222083 -0.825162
N -3.118016 -1.584176 0.412076
C -1.672466 0.449723 0.104749
C -1.097951 1.462451 1.136921
C -0.608713 0.196685 -1.066196
C -2.894360 1.062682 -0.600616
C -1.939484 -0.902446 0.780508
C -2.072698 1.816282 2.278860
C 0.757306 -0.224090 -0.584299
C -4.181248 -1.095276 -0.367562
C 1.893164 0.483670 -0.850606
C 3.271306 0.141371 -0.443613
C 3.589227 -0.993483 0.357912
C 4.338377 0.985333 -0.863367
C 4.922565 -1.270557 0.718120
C 5.674328 0.708785 -0.502857
C 5.973568 -0.422618 0.289943
H -0.819300 2.376029 0.581032
H -0.173406 1.024027 1.550176
H -1.029651 -0.570684 -1.749547
H -0.541725 1.143632 -1.633031
H -2.992832 2.296291 1.898146
H -2.354592 0.921337 2.863755
H -1.594504 2.527048 2.975761
H 0.803781 -1.152047 -0.000279
H -4.783382 0.616117 -1.359776
H -3.251567 -2.522415 0.804032
H 1.795708 1.411176 -1.436503
H 2.791471 -1.658439 0.706729
H 4.112313 1.865250 -1.478995
H 5.146877 -2.147128 1.336410
H 6.478764 1.372855 -0.838218
H 7.009057 -0.641432 0.573065


