%chk=000048802.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048802

0 1
 O  -0.4618000      0.2572000       1.996700    
 O    2.472800       1.563100      -1.339500    
 O    1.918200      -2.892500     -0.4530000    
 N   0.5565000      -1.383000      0.6957000    
 N    2.125100     -0.6656000     -0.9215000    
 C   0.4726000      0.9414000     -0.1213000    
 C   0.4838000       2.362900      0.4627000    
 C  -0.6448000      0.8407000      -1.175500    
 C   0.1524000     -6.8300001E-02  0.9791000    
 C    1.791000      0.6754000     -0.8290000    
 C    1.631000       2.542500       1.432700    
 C   -1.988500      0.9752000     -0.5350000    
 C    1.540100      -1.735800     -0.2483000    
 C   -2.977900      6.2300000E-02 -0.5015000    
 C   3.6800001E-02  -2.447900       1.545600    
 C   -4.312200      0.2571000      0.1610000    
 C   -2.795100      -1.284700      -1.148900    
 H  -0.4396000       2.597300       1.003800    
 H   0.5775000       3.112200     -0.3338000    
 H  -0.5373000       1.650800      -1.910100    
 H  -0.5445000     -7.4500002E-02  -1.765700    
 H    1.602200       1.824900       2.257700    
 H    2.612500       2.471500      0.9570000    
 H    1.574500       3.541900       1.879200    
 H   -2.205900       1.939000     -7.8900002E-02
 H    2.925800     -0.8903000      -1.505600    
 H  -6.9799997E-02  -3.374400      0.9740000    
 H  -0.9330000      -2.172900       1.969700    
 H   0.7505000      -2.614400       2.358400    
 H   -5.120400      0.1353000     -0.5672000    
 H   -4.450500     -0.4724000      0.9655000    
 H   -4.403200       1.257100      0.5977000    
 H   -1.756600      -1.609800      -1.231300    
 H   -3.247200      -1.286800      -2.145900    
 H   -3.294900      -2.057100     -0.5526000    


%chk=000048802-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048802

0 1
O -0.616322 -0.063033 1.858180
O 2.337351 1.647572 -1.526379
O 2.334085 -2.856862 -0.432861
N 0.748404 -1.495403 0.643033
N 2.267994 -0.592400 -0.958259
C 0.459793 0.900578 -0.120728
C 0.432338 2.287537 0.578340
C -0.681850 0.822451 -1.254233
C 0.171072 -0.217473 0.889288
C 1.766434 0.718329 -0.897790
C 1.551253 2.486403 1.622330
C -2.082596 1.087630 -0.760723
C 1.805619 -1.727268 -0.263251
C -3.076486 0.171742 -0.566143
C 0.317842 -2.634143 1.489274
C -4.446576 0.611039 -0.079530
C -2.933764 -1.323696 -0.783770
H -0.550139 2.393432 1.068606
H 0.514883 3.059490 -0.208428
H -0.393574 1.591959 -1.996329
H -0.609908 -0.159687 -1.756618
H 1.476394 1.743013 2.436368
H 2.553383 2.415840 1.162407
H 1.467859 3.487989 2.080809
H -2.315166 2.140786 -0.550601
H 3.083040 -0.754743 -1.558873
H 0.491746 -3.566997 0.934032
H -0.747140 -2.505227 1.731365
H 0.894019 -2.659758 2.430058
H -5.239250 0.309228 -0.792440
H -4.689021 0.130505 0.888884
H -4.504104 1.704264 0.057931
H -1.949310 -1.621220 -1.180683
H -3.709127 -1.692122 -1.483542
H -3.089076 -1.862356 0.172173


