%chk=000042993.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042993

0 1
 O    2.114900       1.192300      -1.213200    
 O   -2.113300       2.698400     -0.5707000    
 O   -4.448100       1.729700      0.5797000    
 O    4.085000       1.764900      0.6419000    
 N  -0.4750000      -3.147100     -0.5464000    
 C   0.9094000      -1.380700      -1.380100    
 C   -1.376600     -0.8910000     -0.4372000    
 C  -0.3800000      -1.815000     -0.7578000    
 C   -2.560600      -1.387100      0.1466000    
 C    1.988900      -1.043200     -0.3743000    
 C   -1.238600      0.4867000     -0.6737000    
 C    2.534900      0.2288000     -0.3445000    
 C   -3.585700     -0.4878000      0.4827000    
 C   -2.266600       1.365600     -0.3335000    
 C   -2.678700      -2.763300      0.3738000    
 C   -3.437600      0.8794000      0.2433000    
 C    2.407300      -2.030400      0.5022000    
 C   -1.622200      -3.585900      1.4000000E-02
 C    3.528800      0.5225000      0.5892000    
 C    3.400900      -1.736700       1.435900    
 C    3.961800     -0.4602000       1.479300    
 C    3.095200       1.746900      -2.087200    
 C  -0.8847000       3.113800      -1.163900    
 C   -4.420100       2.280800       1.894700    
 C    3.460800       2.718700       1.499200    
 H   0.7594000     -0.6027000      -2.135700    
 H    1.296800      -2.218400      -1.980700    
 H  -0.3313000      0.8461000      -1.129400    
 H   -4.506800     -0.8529000      0.9334000    
 H   -3.571100      -3.190500      0.8208000    
 H    1.996700      -3.034800      0.4756000    
 H   -1.675900      -4.657700      0.1745000    
 H    3.740900      -2.502900       2.126700    
 H    4.736600     -0.2391000       2.208400    
 H    2.606300       1.971900      -3.039700    
 H    3.918700       1.051200      -2.282700    
 H    3.477600       2.684700      -1.674900    
 H  -3.2699998E-02   2.917000     -0.5046000    
 H  -0.9406000       4.200600      -1.287700    
 H  -0.7516000       2.690500      -2.165300    
 H   -5.283300       2.942400       2.007500    
 H   -3.508000       2.866100       2.048300    
 H   -4.487700       1.486300       2.644700    
 H    3.497500       2.380300       2.539500    
 H    2.422900       2.889400       1.195700    
 H    4.008100       3.661700       1.418200    


%chk=000042993-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042993

0 1
O 2.072812 1.207448 -1.159741
O -2.087245 2.671720 -0.202093
O -4.462655 1.556648 0.865462
O 4.057029 1.838954 0.824226
N -0.485561 -3.299162 -0.776343
C 1.018459 -1.499351 -1.444643
C -1.321103 -1.015682 -0.427581
C -0.316147 -1.958402 -0.864887
C -2.553908 -1.541648 0.116927
C 2.033725 -1.113887 -0.367422
C -1.151438 0.403390 -0.519344
C 2.551471 0.203236 -0.269933
C -3.559030 -0.630328 0.565925
C -2.158365 1.275053 -0.093209
C -2.705364 -2.963138 0.197023
C -3.383096 0.750485 0.480084
C 2.496996 -2.090999 0.551965
C -1.668325 -3.783246 -0.247523
C 3.505313 0.534783 0.734865
C 3.463091 -1.770944 1.528518
C 3.970353 -0.454754 1.623036
C 3.084447 1.678956 -2.137191
C -0.928276 3.229898 -0.910233
C -4.206457 2.676650 1.797529
C 3.112027 2.879140 1.282311
H 0.874255 -0.652068 -2.135775
H 1.413711 -2.353803 -2.020936
H -0.220396 0.801460 -0.932267
H -4.498269 -1.002777 0.987538
H -3.624883 -3.397728 0.603432
H 2.089930 -3.105794 0.480328
H -1.747839 -4.874658 -0.201441
H 3.819759 -2.541890 2.219884
H 4.717604 -0.175137 2.372506
H 2.586682 2.464624 -2.726928
H 3.390219 0.847113 -2.799402
H 3.964924 2.087288 -1.610490
H 0.019667 2.976714 -0.399790
H -1.087992 4.318177 -0.905329
H -0.889285 2.855179 -1.950678
H -5.197414 3.118695 1.980673
H -3.524567 3.416274 1.349609
H -3.784591 2.293977 2.746901
H 2.743675 2.643005 2.298979
H 2.257516 2.970603 0.586322
H 3.691145 3.815227 1.301734


