%chk=000048807.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048807

0 1
 O    2.010700      -1.732000       1.444400    
 O   0.2349000      0.4337000      -2.324700    
 O    3.006900       2.662000      0.5748000    
 N    2.427900      0.4910000       1.061200    
 N    1.540300       1.573000     -0.8212000    
 C   0.5911000     -0.5890000     -0.1551000    
 C  -0.6642000     -0.2131000      0.6525000    
 C   -1.915400     -7.5199999E-02 -0.2346000    
 C   0.3700000      -1.949300     -0.8326000    
 C  -0.9119000      -1.262700       1.739000    
 C    1.745100     -0.6952000      0.8368000    
 C   0.7756000      0.4870000      -1.220400    
 C   -3.173800      0.3231000      0.5424000    
 C    1.620400      -2.406100      -1.549700    
 C   -4.376400      0.4712000     -0.3912000    
 C    2.356900       1.651800      0.3006000    
 C   -5.638000      0.8296000      0.3779000    
 H  -0.5006000      0.7503000       1.155800    
 H   -2.134500      -1.012400     -0.7566000    
 H   -1.762000      0.6938000     -0.9977000    
 H  -0.4334000      -1.916200      -1.576000    
 H   0.1132000      -2.740000     -0.1213000    
 H   -1.275100      -2.216000       1.344500    
 H  -5.9999999E-02  -1.448400       2.393600    
 H   -1.685800     -0.9059000       2.428800    
 H   -2.998400       1.265200       1.075200    
 H   -3.422300     -0.4370000       1.290000    
 H    1.955600      -1.686200      -2.302600    
 H    2.455800      -2.603100     -0.8725000    
 H    1.416700      -3.345700      -2.076000    
 H   -4.175800       1.249600      -1.136600    
 H   -4.543700     -0.4650000     -0.9365000    
 H    3.110500      0.4864000       1.814000    
 H    1.568800       2.366000      -1.455900    
 H   -6.483600      0.9342000     -0.3090000    
 H   -5.887400      5.2600000E-02   1.107500    
 H   -5.515300       1.777000      0.9125000    


%chk=000048807-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048807

0 1
O 2.183241 -1.830932 1.333695
O 0.191002 0.581855 -2.267400
O 2.805993 2.748045 0.899862
N 2.361702 0.467289 1.182454
N 1.404988 1.650713 -0.619675
C 0.603991 -0.682288 -0.181968
C -0.717252 -0.391531 0.714993
C -2.014699 -0.421747 -0.142670
C 0.481198 -2.002682 -0.988472
C -0.830258 -1.353710 1.921072
C 1.780537 -0.764369 0.804480
C 0.724203 0.523191 -1.129364
C -3.163384 0.408497 0.479345
C 1.717058 -2.333601 -1.852898
C -4.461953 0.339180 -0.357467
C 2.221926 1.701583 0.524035
C -5.604521 1.189942 0.237382
H -0.596873 0.639756 1.111414
H -2.347850 -1.472474 -0.260351
H -1.819962 -0.035465 -1.160960
H -0.405145 -1.920929 -1.639578
H 0.306812 -2.825206 -0.272890
H -0.832550 -2.409571 1.598508
H -0.012959 -1.228187 2.650859
H -1.781272 -1.160902 2.448642
H -2.843790 1.468276 0.565863
H -3.380295 0.061594 1.510356
H 1.904344 -1.547452 -2.606104
H 2.621685 -2.462914 -1.233208
H 1.551923 -3.279979 -2.398304
H -4.246145 0.676935 -1.391340
H -4.787827 -0.717958 -0.437292
H 3.049280 0.444343 1.942718
H 1.375189 2.506417 -1.183595
H -6.519555 1.124388 -0.379211
H -5.861238 0.852945 1.259525
H -5.314744 2.255948 0.298846


