%chk=000168707.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168707

0 1
 O   0.5880000      0.2565000       1.765000    
 O    1.707500       1.087700      -2.611900    
 O    3.656500      3.3500001E-02  0.1237000    
 O    5.451000       1.320100      0.8031000    
 N  -0.2539000      0.3468000      -1.601200    
 N    1.491100      0.8031000     -0.3032000    
 C  -0.7789000      5.5100001E-02 -0.2695000    
 C   0.4942000      0.3770000      0.5480000    
 C   -1.131600      -1.423300     -6.4700000E-02
 C   -1.956800      0.9992000     -7.7999998E-03
 C    1.068100      0.7858000      -1.612600    
 C    2.817300       1.190800      0.1345000    
 C   -1.576700      -1.872200       1.180900    
 C   -3.127600      0.8853000     -0.7610000    
 C   -1.008700      -2.326800      -1.122800    
 C   -1.864200       1.977600      0.9846000    
 C   -1.897000      -3.217000       1.367400    
 C   -4.200000       1.745000     -0.5230000    
 C   -1.329300      -3.671500     -0.9365000    
 C   -2.936500       2.837400       1.222800    
 C   -1.773300      -4.116500      0.3087000    
 C   -4.104400       2.721100      0.4689000    
 C    4.954400      0.2490000      0.4816000    
 C    5.710700      -1.043500      0.4247000    
 H  -0.8025000      0.2558000      -2.451300    
 H    3.215000       1.939100     -0.5594000    
 H    2.759800       1.592900       1.151600    
 H   -1.686100      -1.187700       2.017600    
 H   -3.219800      0.1325000      -1.539400    
 H  -0.6677000      -2.024600      -2.108100    
 H  -0.9773000       2.119700       1.590900    
 H   -2.244300      -3.563300       2.336400    
 H   -5.109200       1.655000      -1.110300    
 H   -1.233400      -4.372500      -1.760600    
 H   -2.861800       3.599500       1.993100    
 H   -2.023200      -5.163500      0.4537000    
 H   -4.938900       3.391000      0.6538000    
 H    5.272100      -1.760800       1.123000    
 H    6.751000     -0.8680000      0.7136000    
 H    5.694400      -1.438100     -0.5943000    


%chk=000168707-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168707

0 1
O 0.841226 0.463314 1.577369
O 1.493344 1.444377 -2.980453
O 3.662674 0.049080 -0.278409
O 4.766264 0.860257 1.620528
N -0.365893 0.560700 -1.783025
N 1.511598 1.001395 -0.626286
C -0.723421 0.199186 -0.389441
C 0.608662 0.561052 0.352965
C -0.957421 -1.318518 -0.213783
C -1.922258 1.046510 0.087185
C 0.921043 1.037682 -1.943716
C 2.896784 1.322620 -0.383828
C -1.436782 -1.801384 1.030504
C -3.227172 0.666811 -0.320781
C -0.647598 -2.237439 -1.243694
C -1.754388 2.232327 0.842091
C -1.616956 -3.185565 1.232782
C -4.342296 1.466490 0.007658
C -0.836301 -3.624189 -1.041358
C -2.872484 3.028874 1.177156
C -1.322133 -4.102509 0.195853
C -4.168173 2.652952 0.757627
C 4.537913 -0.072961 0.823986
C 5.112674 -1.469190 0.868925
H -1.050191 0.610854 -2.536051
H 3.280221 1.873325 -1.256773
H 3.019374 1.885571 0.556780
H -1.657293 -1.093900 1.836761
H -3.371761 -0.265331 -0.880061
H -0.255558 -1.872369 -2.198738
H -0.760372 2.530050 1.191178
H -1.984828 -3.549191 2.198505
H -5.344241 1.162157 -0.314326
H -0.598949 -4.327188 -1.847527
H -2.731011 3.940014 1.768599
H -1.465720 -5.177266 0.353289
H -5.033315 3.272679 1.017680
H 4.343984 -2.166659 1.248114
H 5.980797 -1.491759 1.543460
H 5.397959 -1.805659 -0.140746


