%chk=000129439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129439

0 1
 O    3.133000       1.562700      -1.081800    
 O  -0.4081000      0.3473000       1.733300    
 O    4.485800      0.3356000      0.2438000    
 O   -2.747400     -0.8568000      -1.278500    
 N   0.9103000      0.5502000     -0.1655000    
 N   -2.614100      0.9307000      0.1996000    
 N   -4.837700      -1.900000      0.1645000    
 C    2.043700      -1.600000      0.1583000    
 C    2.095000     -7.2999999E-02  0.3794000    
 C    3.160200      -2.331600      0.9084000    
 C    2.051800      -1.996200      -1.321400    
 C   -1.334900       1.437100     -0.2230000    
 C  -0.2562000      0.7092000      0.5684000    
 C    3.356900      0.5990000     -0.1548000    
 C   -1.239300       2.940700     -1.6400000E-02
 C   -3.222900     -0.1844000     -0.3663000    
 C   -4.576100     -0.4705000      0.2519000    
 H    1.095000      -1.963000      0.5781000    
 H    2.090900      0.1304000       1.458400    
 H   0.9447000      0.8825000      -1.125000    
 H    4.141600      -2.158700      0.4571000    
 H    3.199400      -2.019500       1.957100    
 H    2.982500      -3.412800      0.8919000    
 H    1.207700      -1.551100      -1.857700    
 H    1.971900      -3.083400      -1.428900    
 H    2.975500      -1.678900      -1.816300    
 H   -1.216600       1.210900      -1.289500    
 H   -1.346500       3.204500       1.042000    
 H  -0.2701000       3.321900     -0.3549000    
 H   -2.026700       3.461900     -0.5713000    
 H   -3.065300       1.387400      0.9872000    
 H    3.966800       1.983800      -1.381200    
 H   -5.333400      8.8900000E-02 -0.3057000    
 H   -4.603000     -0.1530000       1.299000    
 H   -5.752000      -2.100300      0.5680000    
 H   -4.161300      -2.407300      0.7343000    


%chk=000129439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129439

0 1
O 1.998386 -0.119510 -2.404075
O 0.621811 1.664160 1.871432
O 4.034492 -0.416246 -1.331463
O -1.743121 0.007005 -1.651940
N 0.727181 0.681267 -0.241470
N -2.310384 0.985694 0.373528
N -4.037672 -1.508100 -1.679582
C 1.848753 -1.326007 0.809014
C 2.018572 0.033097 0.021735
C 3.187479 -1.816210 1.401374
C 1.160044 -2.412956 -0.046057
C -1.261058 2.031740 0.289968
C 0.116803 1.446835 0.725173
C 2.810399 -0.174886 -1.262073
C -1.641578 3.240799 1.153342
C -2.486221 0.045095 -0.613914
C -3.605555 -0.982103 -0.387295
H 1.179825 -1.054484 1.649747
H 2.607919 0.703812 0.675094
H 0.219470 0.477710 -1.115849
H 3.917801 -2.060171 0.610116
H 3.640984 -1.048439 2.054899
H 3.020370 -2.724428 2.009266
H 0.228784 -2.040858 -0.511303
H 0.904369 -3.284969 0.583136
H 1.826042 -2.771481 -0.853825
H -1.192939 2.316476 -0.776800
H -1.630759 2.974848 2.224788
H -0.903346 4.048096 1.017650
H -2.637438 3.623665 0.868573
H -2.912638 0.976660 1.199718
H 2.548307 -0.294339 -3.214733
H -4.443638 -0.496033 0.154972
H -3.184282 -1.755457 0.304153
H -4.506412 -2.413845 -1.659756
H -3.319651 -1.412236 -2.405041


