%chk=000041793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041793

0 1
 O    2.387000      -3.192700     -0.3884000    
 O   0.2286000      -2.802300     -0.2994000    
 O    4.856100       2.451500      0.2772000    
 O    5.550400      0.3866000      7.1999999E-03
 N   -4.287000      0.4828000      0.1857000    
 N  -0.7161000     -0.5213000      3.8999999E-03
 N    1.417700      -2.406900     -0.2713000    
 N    4.626700       1.226900      0.1282000    
 C   -3.138500     -0.4086000      2.6699999E-02
 C   -1.838200      0.3772000      0.1357000    
 C   -5.535600     -0.2758000      0.1201000    
 C   -4.269100       1.527100     -0.8378000    
 C   0.6069000     -0.1094000      3.2400001E-02
 C   -5.571800      -1.366200       1.177500    
 C   -5.421900       2.498900     -0.6510000    
 C    1.675900      -1.018100     -0.1003000    
 C   0.9134000       1.255200      0.1974000    
 C    2.999300     -0.5782000     -6.8700001E-02
 C    2.236600       1.694900      0.2289000    
 C    3.279600      0.7782000      9.5899999E-02
 H   -3.177600     -0.9467000     -0.9304000    
 H   -3.107500      -1.162900      0.8207000    
 H   -1.798400      0.8999000       1.099300    
 H   -1.747600       1.105700     -0.6737000    
 H   -6.391700      0.3721000      0.3345000    
 H   -5.695300     -0.7191000     -0.8709000    
 H   -3.379700       2.156400     -0.7520000    
 H   -4.290200       1.112200      -1.853300    
 H  -0.9214000      -1.504600     -0.1097000    
 H   -4.943900      -2.224000      0.9173000    
 H   -5.275300     -0.9898000       2.162600    
 H   -6.594300      -1.749600       1.271400    
 H   -6.381400       2.074600     -0.9624000    
 H   -5.502900       2.839200      0.3872000    
 H   -5.258900       3.386700      -1.272800    
 H   0.1375000       2.008100      0.3073000    
 H    3.815700      -1.289300     -0.1723000    
 H    2.418000       2.758800      0.3592000    


%chk=000041793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041793

0 1
O 2.619605 -2.954445 -1.360169
O 0.361931 -2.662452 -1.368984
O 4.830696 2.254429 1.342306
O 5.630001 0.312054 0.439574
N -4.353469 0.364607 -0.128807
N -0.685153 -0.483894 -0.348894
N 1.577311 -2.250542 -1.083250
N 4.663258 1.105371 0.767624
C -3.157056 -0.472358 -0.357652
C -1.873790 0.315438 -0.011709
C -5.513013 -0.387531 0.424179
C -4.700079 1.209134 -1.306566
C 0.602153 -0.114688 -0.090623
C -5.333477 -0.759523 1.907827
C -5.468608 2.489149 -0.928920
C 1.740401 -0.951420 -0.431686
C 0.897865 1.144646 0.544599
C 3.062370 -0.549605 -0.149411
C 2.202309 1.539392 0.822102
C 3.285230 0.684663 0.472413
H -3.093124 -0.842569 -1.411171
H -3.205834 -1.367144 0.289159
H -1.891468 0.560485 1.067480
H -1.862557 1.274902 -0.567656
H -6.403054 0.259788 0.330872
H -5.727540 -1.307361 -0.175772
H -3.754483 1.501161 -1.801853
H -5.281941 0.625714 -2.063611
H -0.785321 -1.401690 -0.816793
H -4.465823 -1.425720 2.067876
H -5.180546 0.151134 2.512496
H -6.229226 -1.288300 2.282746
H -6.439987 2.264433 -0.453147
H -4.877200 3.096097 -0.221595
H -5.672882 3.094202 -1.831605
H 0.069650 1.804705 0.812563
H 3.898528 -1.200870 -0.416593
H 2.419423 2.496110 1.304553


