%chk=000158373.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158373

0 1
 O   0.1671000       3.982100     -0.9575000    
 O   -3.606900      -3.594900     -0.8689000    
 O    3.070700      0.8974000      -2.399700    
 N   -2.524400      -1.657100     -0.1022000    
 N  -9.7700000E-02   2.439900      0.7741000    
 N    1.518900      0.8975000     -0.6650000    
 N  -0.3870000      -2.135500     -0.6454000    
 N    2.019600     -8.8600002E-02   1.449600    
 C   -1.179700      0.3075000      6.1099999E-02
 C  -0.1899000      0.9997000       1.059300    
 C   -1.182100      -1.254200      0.1984000    
 C  -0.8290000      0.7684000      -1.399400    
 C   0.4561000       1.606600      -1.386800    
 C   -2.678300      0.5585000      0.2988000    
 C    1.217900      0.5479000      0.6594000    
 C   -3.414600     -0.6253000      0.1124000    
 C  -0.4740000      0.7844000       2.546000    
 C   0.1955000       2.835200     -0.5313000    
 C   -1.177300      -3.383700     -0.7468000    
 C   -2.620700      -2.934800     -0.5907000    
 C   -3.345500       1.749500      0.5363000    
 C    2.742800      0.6042000      -1.255000    
 C   -4.794900     -0.6583000      0.1220000    
 C   -4.743800       1.732500      0.5825000    
 C    3.680100     -0.1289000     -0.3712000    
 C    3.279300     -0.4446000      0.9363000    
 C   -5.460900      0.5417000      0.3714000    
 C    4.943800     -0.5006000     -0.8422000    
 C    4.168400      -1.140400       1.763100    
 C    5.816400      -1.193200     -4.3000001E-03
 C    5.429900      -1.513000       1.295900    
 H   -1.018300      -1.550000       1.242900    
 H   -1.636200       1.375000      -1.831200    
 H  -0.6970000     -8.3300002E-02  -2.074700    
 H   0.7739000       1.898900      -2.391300    
 H  -0.3476000       3.131700       1.474400    
 H   0.2609000       1.315400       3.163900    
 H   -1.458800       1.170700       2.827700    
 H  -0.4239000     -0.2687000       2.836100    
 H   0.5256000      -2.318800     -0.2326000    
 H  -0.9284000      -4.075800      6.3600004E-02
 H   -1.024400      -3.855500      -1.720000    
 H   -2.814800       2.686100      0.6611000    
 H   -5.350500      -1.574500     -3.9099999E-02
 H   -5.285700       2.656600      0.7665000    
 H   -6.547200      0.5593000      0.4004000    
 H    5.263700     -0.2616000      -1.852500    
 H    3.882500      -1.397500       2.780300    
 H    6.798600      -1.484300     -0.3652000    
 H    6.111200      -2.052900       1.947100    


%chk=000158373-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158373

0 1
O 0.136456 4.135628 -1.038864
O -3.538064 -3.541085 -0.946528
O 3.010895 0.848662 -2.462568
N -2.418039 -1.726436 0.085543
N -0.233230 2.577372 0.686167
N 1.536777 0.950641 -0.638165
N -0.264487 -2.040963 -0.682960
N 1.964055 -0.086377 1.496568
C -1.175222 0.355166 0.044243
C -0.198307 1.130767 1.044049
C -1.039504 -1.219879 0.266534
C -0.794105 0.784149 -1.417003
C 0.477500 1.681623 -1.392858
C -2.675286 0.559610 0.322462
C 1.205160 0.619476 0.678190
C -3.359972 -0.687120 0.290183
C -0.517406 0.973313 2.532627
C 0.131542 2.957264 -0.596287
C -1.036735 -3.275515 -1.001916
C -2.491949 -2.916053 -0.637401
C -3.418846 1.745410 0.467182
C 2.761673 0.556635 -1.259281
C -4.758096 -0.791150 0.399807
C -4.829237 1.663998 0.601261
C 3.640319 -0.210117 -0.349502
C 3.213760 -0.511689 0.988363
C -5.487878 0.411362 0.562057
C 4.905901 -0.656921 -0.809560
C 4.072370 -1.262281 1.836893
C 5.743913 -1.395756 0.042019
C 5.323031 -1.698235 1.367817
H -0.720793 -1.391974 1.318252
H -1.617744 1.345327 -1.888908
H -0.589175 -0.124168 -2.012013
H 0.862607 1.925128 -2.392865
H -0.442352 3.278503 1.400098
H 0.193720 1.565851 3.134173
H -1.548571 1.305353 2.741506
H -0.405742 -0.071042 2.858957
H 0.708041 -2.199759 -0.402169
H -0.718623 -4.167666 -0.419937
H -0.989811 -3.534013 -2.074157
H -2.924321 2.721979 0.457783
H -5.251529 -1.764665 0.346601
H -5.414647 2.581434 0.723225
H -6.578677 0.369170 0.652551
H 5.200472 -0.408744 -1.834481
H 3.731186 -1.479224 2.853587
H 6.721607 -1.738655 -0.311937
H 5.980762 -2.273631 2.028263


