%chk=000148628.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148628

0 1
 O   0.5957000     -0.9842000       1.876700    
 O    2.950300      0.4616000       1.616500    
 O    4.642300       1.552800     -0.1688000    
 N    1.585900     -0.3196000     -0.1066000    
 N    3.491800      0.8627000     -0.5926000    
 C   -2.203100      0.4459000     -0.3364000    
 C   -1.228600     -0.4745000      -1.068700    
 C  -0.5507000      -1.582700     -0.2020000    
 C   -1.443200       1.480300      0.5050000    
 C   -3.146700       1.136900      -1.330100    
 C   -2.395800       2.446700       1.205500    
 C   -4.096300       2.103900     -0.6267000    
 C   -3.337900       3.124800      0.2156000    
 C   6.1999999E-02  -2.661500      -1.150200    
 C   -1.571600      -2.258000      0.7657000    
 C   0.5916000     -0.9496000      0.6460000    
 C   0.7826000      -3.812400     -0.4526000    
 C   -2.768300      -2.935800      0.1049000    
 C    2.703000      0.3469000      0.4170000    
 C    5.337200       2.015900      -1.318400    
 H   -2.857400     -0.1200000      0.3317000    
 H   -1.791500     -0.9866000      -1.862100    
 H  -0.4852000      0.1274000      -1.604900    
 H  -0.8525000       1.000100       1.285700    
 H  -0.7502000       2.049200     -0.1274000    
 H   -2.561900       1.685900      -2.079200    
 H   -3.736600      0.3883000      -1.872700    
 H   -1.819200       3.206900       1.744600    
 H   -2.984100       1.901600       1.954100    
 H   -4.783500       1.538900      1.5200000E-02
 H   -4.710000       2.623700      -1.371000    
 H   -2.760600       3.784700     -0.4437000    
 H   -4.049400       3.757700      0.7576000    
 H  -0.7187000      -3.084200      -1.794100    
 H   0.7747000      -2.191400      -1.838800    
 H   -1.936500      -1.535800       1.506000    
 H   -1.058000      -3.009800       1.378800    
 H    1.568700      -3.453800      0.2179000    
 H    1.255700      -4.457200      -1.201100    
 H   9.1600001E-02  -4.437700      0.1193000    
 H   -2.459800      -3.787600     -0.5076000    
 H   -3.342000      -2.249600     -0.5229000    
 H   -3.444500      -3.320200      0.8759000    
 H    1.515500     -0.3352000      -1.119000    
 H    3.307200      0.7807000      -1.586100    
 H    5.649500       1.173500      -1.944100    
 H    4.711500       2.705600      -1.893900    
 H    6.230600       2.552000     -0.9868000    


%chk=000148628-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148628

0 1
O 0.319414 -0.729040 1.774008
O 2.353782 1.362976 1.066933
O 4.972297 0.891224 0.128466
N 1.600927 -0.541923 -0.168908
N 3.821961 0.125164 -0.300139
C -2.053556 0.596320 -0.285830
C -1.414693 -0.561621 -1.108508
C -0.632141 -1.673968 -0.310927
C -1.181416 1.882618 -0.293385
C -3.478109 0.923225 -0.811649
C -1.843436 3.033985 0.500382
C -4.145088 2.072832 -0.020309
C -3.264637 3.344790 -0.025218
C -0.005270 -2.654201 -1.356601
C -1.566484 -2.439054 0.680076
C 0.451411 -0.959346 0.546575
C 0.854491 -3.796615 -0.773213
C -2.718149 -3.240515 0.037919
C 2.580364 0.392178 0.312435
C 4.956229 2.230439 -0.510364
H -2.154239 0.276751 0.772617
H -2.204926 -1.086910 -1.682393
H -0.729808 -0.129357 -1.868415
H -0.180168 1.678020 0.129099
H -1.035377 2.203395 -1.348357
H -3.408743 1.208332 -1.883835
H -4.111887 0.013967 -0.763910
H -1.206897 3.938561 0.450466
H -1.901866 2.746525 1.570212
H -4.303230 1.746640 1.028778
H -5.145430 2.294229 -0.441621
H -3.193996 3.735135 -1.062342
H -3.736167 4.139255 0.585676
H -0.837112 -3.088516 -1.943796
H 0.584885 -2.083751 -2.107322
H -1.980442 -1.711111 1.399088
H -0.945184 -3.118029 1.294496
H 1.678905 -3.412000 -0.144045
H 1.299841 -4.403062 -1.582938
H 0.249515 -4.474127 -0.145662
H -2.355906 -4.047035 -0.626677
H -3.397900 -2.596587 -0.549272
H -3.324487 -3.718264 0.829060
H 1.701557 -0.863294 -1.134602
H 4.105273 -0.842028 -0.488712
H 4.905692 2.136990 -1.610584
H 4.110604 2.824243 -0.124137
H 5.913197 2.679762 -0.201418


