%chk=000023385.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023385

0 1
 O    4.430300       1.424800     -0.1165000    
 O    4.525000     -0.7523000     -0.3820000    
 N  -0.4208000      -2.128400      6.4999998E-02
 N   -3.997000      0.2263000     -0.2015000    
 N    3.875700      0.3016000     -0.1791000    
 C   -1.667600     -0.3284000      0.4290000    
 C  -0.3115000      8.6199999E-02  0.3110000    
 C   -2.834900      0.5425000      0.6744000    
 C   0.4498000      -1.062200      8.2900003E-02
 C   -1.702700      -1.695100      0.2734000    
 C   0.3433000       1.332100      0.3764000    
 C    1.838800      -1.026700     -8.3499998E-02
 C    2.466600      0.2203000     -1.4600000E-02
 C    1.732300       1.382800      0.2119000    
 C   -3.612700      0.3892000      -1.593600    
 C   -5.114600       1.087500      0.1468000    
 H   -3.135800      0.4061000       1.721800    
 H   -2.561100       1.599500      0.5613000    
 H   -2.520900      -2.401700      0.2938000    
 H  -0.1517000      -3.091600     -8.0600001E-02
 H  -0.2119000       2.248900      0.5526000    
 H    2.382200      -1.949800     -0.2587000    
 H    2.207200       2.359700      0.2680000    
 H   -4.478800      0.2244000      -2.246000    
 H   -2.866500     -0.3436000      -1.916200    
 H   -3.227000       1.393500      -1.806600    
 H   -5.992200      0.8453000     -0.4631000    
 H   -4.885100       2.150200      5.5000000E-03
 H   -5.412000      0.9361000       1.190700    


%chk=000023385-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023385

0 1
O 4.670223 1.303112 0.134943
O 4.679355 -0.961887 -0.144550
N -0.402623 -2.096548 -0.032034
N -4.020847 0.271875 -0.205698
N 4.062160 0.165612 0.025806
C -1.618773 -0.180058 0.264269
C -0.215942 0.167980 0.241029
C -2.792609 0.746689 0.478149
C 0.530463 -1.056992 0.053119
C -1.690469 -1.566974 0.097169
C 0.498839 1.393878 0.356688
C 1.931531 -1.090726 -0.020425
C 2.589985 0.151767 0.098333
C 1.898453 1.385850 0.283891
C -3.936821 0.401119 -1.676549
C -5.241634 0.905494 0.333163
H -3.022262 0.810685 1.560747
H -2.508574 1.783961 0.158853
H -2.580965 -2.190295 0.053120
H -0.179993 -3.079061 -0.177265
H -0.035027 2.338501 0.502404
H 2.516331 -2.003716 -0.160794
H 2.485217 2.303775 0.365859
H -4.824131 -0.064280 -2.141147
H -3.038302 -0.120609 -2.047261
H -3.883712 1.466357 -2.016708
H -6.130356 0.461593 -0.149746
H -5.279874 2.012134 0.167703
H -5.313243 0.717963 1.419433


