%chk=000097927.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097927

0 1
 O    1.079700      -2.813400       1.216900    
 O   -1.215100      -2.859300     -8.3099999E-02
 N    1.903400      0.4276000      0.8296000    
 N   -1.267200      0.6184000      0.4585000    
 C   0.4948000      -1.535300      0.9854000    
 C    1.461400     -0.6755000      0.2030000    
 C  -0.8670000      -1.716100      0.2781000    
 C   -1.733700     -0.5765000      3.1500001E-02
 C    1.815800      -1.068900      -1.067200    
 C    2.767100       1.193400      0.1257000    
 C   -2.952600     -0.7512000     -0.6038000    
 C    2.706100     -0.2555000      -1.759400    
 C    3.195600      0.8991000      -1.158600    
 C   -2.063800       1.688000      0.2365000    
 C   -3.743800      0.3728000     -0.8144000    
 C   -3.298200       1.619300     -0.3892000    
 C    3.272600       2.423800      0.8023000    
 C   -1.555300       3.009300      0.7080000    
 H   0.3050000      -1.090500       1.970000    
 H    1.431000      -1.972300      -1.526700    
 H   -3.302400      -1.722700     -0.9363000    
 H    3.018300     -0.5211000      -2.764800    
 H    3.890800       1.541300      -1.688400    
 H   -4.705900      0.2775000      -1.308700    
 H   -3.906600       2.503200     -0.5474000    
 H   0.4956000      -3.294200       1.828100    
 H    4.362000       2.383700      0.9013000    
 H    2.997400       3.314100      0.2281000    
 H    2.845600       2.524500       1.805600    
 H   -2.235500       3.435700       1.452100    
 H  -0.5682000       2.907600       1.171400    
 H   -1.462600       3.703900     -0.1329000    


%chk=000097927-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097927

0 1
O 0.959494 -2.636838 1.624496
O -1.098687 -2.790966 -0.066159
N 1.957912 0.537901 0.691029
N -1.521821 0.701707 0.704582
C 0.439568 -1.362708 1.142345
C 1.478872 -0.660899 0.249885
C -0.853233 -1.614664 0.344333
C -1.773111 -0.472750 0.049801
C 1.940958 -1.286522 -0.932862
C 2.929565 1.167889 -0.041056
C -2.843261 -0.642698 -0.863501
C 2.935404 -0.633570 -1.692147
C 3.437142 0.607478 -1.243450
C -2.333279 1.773207 0.462556
C -3.681216 0.463596 -1.113836
C -3.423513 1.683591 -0.448068
C 3.446060 2.486889 0.496872
C -2.018308 3.042394 1.221967
H 0.238269 -0.697328 1.997203
H 1.537653 -2.256941 -1.238400
H -2.987807 -1.613580 -1.345525
H 3.314829 -1.085146 -2.615263
H 4.212186 1.137606 -1.807490
H -4.518217 0.381006 -1.814773
H -4.056113 2.559811 -0.623024
H 0.491447 -3.353485 1.107100
H 4.515472 2.415066 0.771060
H 3.354400 3.293461 -0.254201
H 2.874268 2.766582 1.395080
H -2.332987 2.946070 2.277977
H -0.929120 3.216058 1.226738
H -2.528525 3.918483 0.787932


