%chk=000078334.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078334

0 1
 O   -3.756500      -1.334100     -0.7289000    
 O   0.8620000      0.9990000      0.7211000    
 O   -2.506200      -1.107800       1.184400    
 O   0.2676000      0.1569000      -1.378300    
 O   -3.328800       3.069500       1.042800    
 O    6.873000     -0.2369000     -0.7487000    
 O    6.317600      -2.131800      0.2104000    
 N   -2.355000      0.4160000     -0.5592000    
 N   -2.724200       4.787200     -0.3597000    
 N    6.034400     -0.9709000     -0.1723000    
 C   -4.344800      -2.526200     -0.1963000    
 C   -1.371900       1.297700      1.6200000E-02
 C   -3.235200      -3.546300      5.4400001E-02
 C   -5.334700      -3.053400      -1.232900    
 C   -5.065000      -2.173700       1.104400    
 C   -1.494700       2.723900     -0.5119000    
 C   -2.840200     -0.7127000      7.2099999E-02
 C  -1.1800000E-02  0.7235000     -0.3292000    
 C   -2.610100       3.511800      0.1516000    
 C    2.150700      0.5083000      0.4992000    
 C    3.100100       1.306000     -0.1398000    
 C    2.488000     -0.7795000      0.9156000    
 C    4.724200     -0.4722000      5.4200001E-02
 C    4.386800      0.8157000     -0.3622000    
 C    3.774700      -1.269700      0.6931000    
 H   -1.490000       1.262500       1.106300    
 H   -2.549300      -3.596500     -0.7993000    
 H   -2.628700      -3.350400      0.9421000    
 H   -3.661000      -4.546100      0.2020000    
 H   -4.828600      -3.260800      -2.182800    
 H   -6.105200      -2.304700      -1.449900    
 H   -5.828500      -3.970800     -0.8963000    
 H   -4.407000      -2.035400       1.966000    
 H   -5.649900      -1.253300      0.9926000    
 H   -5.755500      -2.976900       1.388400    
 H   -1.660700       2.726800      -1.596600    
 H  -0.5622000       3.273000     -0.3264000    
 H   -2.680600      0.6019000      -1.503400    
 H    2.842500       2.310000     -0.4659000    
 H    1.752200      -1.404800       1.413800    
 H   -3.428200       5.428500     -9.6000005E-03
 H   -2.117700       5.133100      -1.096400    
 H    5.100300       1.465200     -0.8628000    
 H    4.001800      -2.277500       1.031100    


%chk=000078334-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078334

0 1
O -4.034325 -1.308313 -0.512909
O 1.108797 0.868031 0.136312
O -2.508277 -1.052257 1.293283
O 0.147059 -0.665102 -1.382041
O -2.551672 3.214959 1.168089
O 7.385338 0.298771 0.985062
O 7.079350 -1.383518 -0.526234
N -2.434418 0.283327 -0.627563
N -2.944314 4.254663 -0.869450
N 6.639119 -0.418742 0.211590
C -4.801941 -2.467205 0.116800
C -1.258496 1.020432 -0.196994
C -3.846330 -3.659901 0.319185
C -5.859506 -2.764566 -0.959702
C -5.447451 -1.992714 1.433577
C -1.247947 2.457843 -0.771448
C -2.956067 -0.734785 0.161076
C 0.036625 0.278654 -0.582412
C -2.309220 3.324047 -0.066434
C 2.466510 0.458692 0.076621
C 3.313052 1.220920 0.918461
C 2.972932 -0.597947 -0.722213
C 5.190608 -0.114107 0.167686
C 4.686692 0.936989 0.967874
C 4.352109 -0.880143 -0.669433
H -1.285848 1.099467 0.906371
H -3.350915 -3.923597 -0.632031
H -3.077173 -3.426232 1.071795
H -4.423240 -4.537841 0.663179
H -5.377236 -3.045875 -1.911768
H -6.493554 -1.878662 -1.136483
H -6.504495 -3.599224 -0.631927
H -4.679026 -1.745696 2.182799
H -6.075755 -1.101662 1.257482
H -6.091368 -2.795675 1.836911
H -1.388317 2.444586 -1.869624
H -0.261036 2.912478 -0.566729
H -2.782810 0.369490 -1.582647
H 2.875196 2.018791 1.524326
H 2.308734 -1.180684 -1.359929
H -3.623847 4.882736 -0.439473
H -2.756609 4.335967 -1.867002
H 5.368048 1.503657 1.606960
H 4.784722 -1.685954 -1.267994


