%chk=000029107.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029107

0 1
 O   -3.815400      -1.454300      0.5480000    
 O   -2.351200       2.868200     -0.8769000    
 N    2.497800      0.1435000     -0.9009000    
 N  -0.8962000      -2.081600      0.9771000    
 C    2.166800     -0.1494000      0.5126000    
 C    2.445900       1.132400       1.376300    
 C   0.7983000     -0.6961000      0.6085000    
 C  -0.4096000     -1.7999999E-02  0.2828000    
 C    2.430100      -1.069900      -1.688300    
 C    2.221200      0.9031000       2.878000    
 C    3.882800       1.630500       1.166000    
 C   -1.457500     -0.9093000      0.5231000    
 C   0.4665000      -1.962400       1.032200    
 C  -0.7130000       1.272600     -0.1945000    
 C    3.438400      -2.092600      -1.171900    
 C    2.687800     -0.7388000      -3.154800    
 C   -2.798800     -0.5734000      0.3090000    
 C   -2.050400       1.622500     -0.4136000    
 C   -3.075700      0.7121000     -0.1651000    
 C   -4.209700      -2.292100     -0.5345000    
 C   -1.258100       3.752900      -1.113200    
 H    2.873500     -0.8854000      0.9142000    
 H    1.776400       1.943900       1.070500    
 H    1.872600      0.8551000      -1.274800    
 H    1.431900      -1.522000      -1.672900    
 H    2.864400      0.1009000       3.255200    
 H    2.441700       1.811600       3.448800    
 H    1.181300      0.6315000       3.085000    
 H    4.053600       1.955000      0.1348000    
 H    4.612500      0.8494000       1.405600    
 H    4.091700       2.492700       1.809200    
 H    1.074600      -2.790100       1.369800    
 H   -1.416000      -2.909800       1.232500    
 H   0.1120000       1.944900     -0.3846000    
 H    3.569200      -2.897200      -1.905600    
 H    4.426300      -1.644800      -1.012000    
 H    3.122600      -2.583000     -0.2471000    
 H    1.949000     -2.3399999E-02  -3.533700    
 H    2.622300      -1.639600      -3.774800    
 H    3.683900     -0.3052000      -3.299100    
 H   -4.108400       1.005800     -0.3421000    
 H   -4.574700      -1.689900      -1.372600    
 H   -5.020700      -2.939400     -0.1900000    
 H   -3.374600      -2.920800     -0.8595000    
 H   -1.679600       4.696500      -1.475200    
 H  -0.5977000       3.376700      -1.902000    
 H  -0.7161000       3.981200     -0.1890000    


%chk=000029107-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029107

0 1
O -3.680607 -1.883358 0.325774
O -2.537735 2.634105 -1.112773
N 2.724017 0.029092 -0.861656
N -0.849695 -2.289945 0.885843
C 2.275317 -0.222454 0.545542
C 2.470215 1.078448 1.392512
C 0.865864 -0.794353 0.613561
C -0.378746 -0.153996 0.200896
C 2.931525 -1.171408 -1.720737
C 1.927079 0.907101 2.829286
C 3.959193 1.492785 1.413748
C -1.419467 -1.118110 0.387236
C 0.529202 -2.090823 1.015975
C -0.709163 1.139919 -0.310139
C 4.248213 -1.884645 -1.341118
C 2.961412 -0.716958 -3.194694
C -2.773999 -0.835231 0.085968
C -2.058248 1.405706 -0.606578
C -3.092854 0.435395 -0.415281
C -5.091344 -1.619685 0.031693
C -1.554499 3.691371 -1.334346
H 2.966767 -0.977206 0.972487
H 1.892097 1.891533 0.902585
H 2.068403 0.680641 -1.321070
H 2.092170 -1.900175 -1.601130
H 2.453098 0.081892 3.348481
H 2.089126 1.830342 3.416255
H 0.847663 0.676860 2.833009
H 4.359646 1.544733 0.387312
H 4.558114 0.751041 1.978664
H 4.090584 2.474717 1.905903
H 1.178608 -2.880195 1.391368
H -1.372053 -3.134231 1.106580
H 0.063138 1.900279 -0.447732
H 4.402636 -2.775968 -1.977495
H 5.101606 -1.195497 -1.475051
H 4.243605 -2.221142 -0.288273
H 2.000923 -0.251266 -3.489083
H 3.139650 -1.576316 -3.865441
H 3.769598 0.021906 -3.350025
H -4.114062 0.727728 -0.671242
H -5.475764 -0.783756 0.647305
H -5.621379 -2.548503 0.288951
H -5.236896 -1.387052 -1.040779
H -2.129291 4.547230 -1.718792
H -0.794645 3.387411 -2.081898
H -1.047320 3.976534 -0.391105


