%chk=000048556.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048556

0 1
 O  -0.9699000      -2.366500      0.4108000    
 O  -0.1358000      0.7821000      -2.073900    
 O   0.4088000      -1.161400       2.166000    
 O    3.979900     -0.6894000     -0.6765000    
 N    1.937800      0.1365000      -1.334700    
 N    2.209600     -0.8349000      0.7830000    
 C   0.1222000      0.3606000      0.3001000    
 C   -1.374600      1.9400001E-02  0.3359000    
 C   -1.676400      -1.343500     -0.2865000    
 C   0.3405000       1.756000      0.9119000    
 C   0.5950000      0.4292000      -1.148600    
 C   0.8921000     -0.6319000       1.165700    
 C   -3.176700      -1.645300     -0.2010000    
 C  -0.4950000       2.776800      0.2137000    
 C    2.796200     -0.4626000     -0.4206000    
 C   -4.015800     -0.6306000     -0.9668000    
 C   -1.437800       3.505600      0.8214000    
 H   -1.950100      0.7754000     -0.2054000    
 H   -1.729700      2.9899999E-02   1.375600    
 H   -1.360700      -1.381700      -1.334100    
 H    1.392900       2.058100      0.8304000    
 H   0.1151000       1.738200       1.986800    
 H   -3.501800      -1.690800      0.8456000    
 H   -3.361200      -2.646000     -0.6116000    
 H    2.314800      0.3052000      -2.263300    
 H    2.786900      -1.382200       1.415400    
 H  -0.2865000       2.997400     -0.8293000    
 H   -5.046900     -0.9908000      -1.047300    
 H   -4.055400      0.3357000     -0.4562000    
 H   -3.632900     -0.4803000      -1.981100    
 H   -1.176000      -3.213000     -2.0800000E-02
 H   -1.990600       4.258400      0.2702000    
 H   -1.676800       3.364900       1.869800    


%chk=000048556-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048556

0 1
O -0.563991 -2.074412 -0.447576
O 0.156211 0.905690 -2.110246
O 0.295324 -0.733259 2.454355
O 3.851788 -1.356613 -0.462878
N 2.021367 -0.107834 -1.205312
N 2.064802 -0.966434 0.992246
C 0.092470 0.439053 0.303315
C -1.418428 0.076673 0.227469
C -1.712628 -1.153224 -0.654052
C 0.271968 1.903160 0.905464
C 0.721886 0.418333 -1.094406
C 0.785314 -0.487515 1.323241
C -3.044281 -1.845042 -0.303098
C -0.439111 2.999075 0.140628
C 2.724236 -0.847956 -0.238733
C -4.276912 -0.945962 -0.549097
C -1.303528 3.875570 0.710803
H -1.972375 0.944183 -0.167637
H -1.754991 -0.108058 1.264599
H -1.725918 -0.842241 -1.720360
H 1.359125 2.123704 0.950404
H -0.097037 1.864807 1.946993
H -3.006841 -2.169834 0.754584
H -3.140926 -2.763245 -0.920560
H 2.463478 -0.055695 -2.128711
H 2.541224 -1.536404 1.698143
H -0.211499 3.080840 -0.930775
H -5.211289 -1.499049 -0.347053
H -4.267369 -0.056144 0.105415
H -4.312879 -0.594534 -1.597494
H -0.713406 -2.908409 -0.958929
H -1.770620 4.677410 0.128155
H -1.563965 3.821862 1.775702


