%chk=000049303.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049303

0 1
 O  -5.6100000E-02  0.5542000       2.082400    
 O   0.2071000      -1.162000      -2.280500    
 O    3.339200      -2.288000      0.8784000    
 N    1.694200     -0.7877000       1.451200    
 N    1.826100      -1.644500     -0.7284000    
 C   0.2982000      0.2253000     -0.2938000    
 C   -1.202300      0.4881000     -0.4877000    
 C    1.093200       1.467500     -0.7343000    
 C   -2.041400     -0.7062000     -2.7300000E-02
 C   -3.559100     -0.4671000     -0.1336000    
 C   0.5907000      1.0100000E-02   1.187800    
 C   0.7346000     -0.9265000      -1.193700    
 C   0.8951000       1.721800      -2.225800    
 C   0.6608000       2.665300      6.6399999E-02
 C   -3.947600      0.7698000      0.6804000    
 C   -4.375000      -1.671600      0.3380000    
 C    2.365300      -1.607500      0.5519000    
 C    1.477000       3.358900      0.8684000    
 H   -1.517000       1.356900      9.1700003E-02
 H   -1.466900      0.6820000      -1.531900    
 H    2.167400       1.295700     -0.5748000    
 H   -1.798500      -1.590600     -0.6281000    
 H   -1.809800     -0.9722000       1.010400    
 H   -3.813900     -0.2814000      -1.184700    
 H    1.316600      0.9325000      -2.854100    
 H    1.438900       2.632900      -2.510300    
 H  -0.1427000       1.898000      -2.519700    
 H  -0.3426000       3.059800     -6.8999998E-02
 H    1.996300     -0.8390000       2.420100    
 H    2.225400      -2.327600      -1.366000    
 H   -3.599600       1.693700      0.2089000    
 H   -3.549400      0.7236000       1.699700    
 H   -5.037800      0.8558000      0.7533000    
 H   -4.185000      -1.890000       1.394300    
 H   -5.447900      -1.490400      0.2151000    
 H   -4.117200      -2.562800     -0.2436000    
 H    1.118800       4.241800       1.386400    
 H    2.507600       3.060500       1.024800    


%chk=000049303-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049303

0 1
O -0.026814 0.629551 2.170059
O 0.213275 -1.258708 -2.218031
O 3.465984 -2.184565 0.967530
N 1.773368 -0.661546 1.510203
N 1.860671 -1.629450 -0.641153
C 0.241368 0.239575 -0.252669
C -1.285519 0.453682 -0.419041
C 1.101682 1.514454 -0.778394
C -2.146804 -0.718260 0.107531
C -3.662137 -0.551877 -0.188004
C 0.603410 0.080256 1.233525
C 0.720748 -0.943152 -1.110875
C 0.683911 1.940668 -2.209733
C 1.003555 2.695712 0.170518
C -4.263682 0.690053 0.514028
C -4.427505 -1.830783 0.227176
C 2.448419 -1.528103 0.634131
C 2.074540 3.310835 0.728898
H -1.560215 1.381985 0.111239
H -1.495652 0.592595 -1.494202
H 2.161485 1.188304 -0.804558
H -1.805668 -1.661760 -0.365398
H -2.007878 -0.824684 1.201955
H -3.780503 -0.421606 -1.285492
H 0.636168 1.082815 -2.902397
H 1.422684 2.665339 -2.595031
H -0.300565 2.439986 -2.208692
H -0.006556 3.082098 0.367712
H 2.113977 -0.650864 2.477238
H 2.271802 -2.332502 -1.264092
H -3.806330 1.632020 0.160418
H -4.111567 0.629925 1.608999
H -5.351412 0.757706 0.325519
H -4.336862 -2.004309 1.317033
H -5.504060 -1.747277 -0.011839
H -4.032089 -2.723665 -0.292545
H 1.958205 4.187690 1.374869
H 3.099264 2.956962 0.555868


