%chk=000129803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129803

0 1
 O    3.611000       1.518400      2.9700000E-02
 O  -0.7824000     -0.5172000      -1.606800    
 O    3.424600     -0.9881000      -1.371800    
 O   -1.271000      -2.431800      0.8295000    
 N   0.5120000     -0.4193000      0.4175000    
 N  -0.6182000       2.143800      0.1945000    
 N   -2.728100       1.122600     -1.0300000E-02
 N   -3.090700      -1.216700      0.1521000    
 N   -4.871400      0.2893000     -0.1508000    
 C    1.385800      0.6465000     -7.6399997E-02
 C    2.794900      0.4392000      0.4756000    
 C  -0.8037000     -0.3015000     -0.1997000    
 C   0.8324000       2.007800      0.3370000    
 C    3.400400     -0.9037000      5.1700000E-02
 C   -1.350900       1.096300      2.0099999E-02
 C   -1.726100      -1.403700      0.3304000    
 C    4.820600      -1.085900      0.5746000    
 C   -3.539100      4.1000000E-03  3.1000001E-03
 H    1.427800      0.6241000      -1.174000    
 H    2.780100      0.4898000       1.571800    
 H   0.8889000      -1.331000      0.1675000    
 H    1.077200       2.219300       1.385400    
 H    1.306400       2.794200     -0.2618000    
 H    2.806600      -1.742200      0.4277000    
 H   -3.179400       2.032800      1.9900000E-02
 H    5.503100     -0.3456000      0.1433000    
 H    5.209200      -2.068800      0.2860000    
 H    4.855900      -1.007200       1.665500    
 H    3.684800       1.453700     -0.9380000    
 H   -1.685100     -0.4090000      -1.951900    
 H    3.796300      -1.854800      -1.608900    
 H   -5.199800       1.241600     -0.2678000    
 H   -5.568200     -0.4475000     -0.1563000    


%chk=000129803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129803

0 1
O 3.635902 1.550216 0.085593
O -1.052752 -0.456981 -1.771616
O 3.828643 -0.594989 -1.494169
O -1.338918 -2.488975 0.683034
N 0.417757 -0.399892 0.238777
N -0.655909 2.188124 0.120431
N -2.803583 1.266089 -0.018797
N -3.201630 -1.089934 0.404014
N -4.980810 0.378942 0.138336
C 1.369942 0.622879 -0.246122
C 2.764385 0.409132 0.389727
C -0.909418 -0.286317 -0.254676
C 0.817701 2.022301 0.159573
C 3.465902 -0.891849 -0.083377
C -1.397373 1.137451 -0.044725
C -1.843505 -1.371661 0.358303
C 4.703839 -1.231306 0.758731
C -3.624455 0.159264 0.166687
H 1.473541 0.571789 -1.352360
H 2.657550 0.391911 1.489783
H 0.721942 -1.362932 0.412993
H 1.129517 2.261321 1.196116
H 1.264990 2.801367 -0.479766
H 2.754532 -1.744240 -0.066197
H -3.162920 2.223900 0.018944
H 5.384645 -0.363717 0.805356
H 5.251455 -2.097521 0.339989
H 4.408102 -1.495565 1.790297
H 3.978503 1.378424 -0.835054
H -0.870945 -1.415223 -1.968304
H 4.486727 -1.258553 -1.816082
H -5.397605 1.269174 -0.122051
H -5.571853 -0.433130 0.305013


