%chk=000136248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000136248

0 1
 O   -2.006100       3.644100      -1.327100    
 O   -3.287900      -2.974800      0.4085000    
 O   -2.168000       3.316800      0.9129000    
 O   -4.467500      -1.086600     -0.1651000    
 O    1.491900      -2.581600     -0.5691000    
 N  -0.9897000      -1.559200     -5.2700002E-02
 N   0.1356000     -0.8179000      7.1599998E-02
 N    4.778500       1.043200      0.2943000    
 C   -2.153800      0.4702000      0.6297000    
 C   -2.135800       1.392800     -0.5866000    
 C   -2.119400     -0.9826000      0.2155000    
 C   -2.109200       2.861300     -0.2204000    
 C    2.549000     -0.5554000     -3.3700000E-02
 C   -3.446700      -1.676100      0.1227000    
 C    1.349900      -1.415400     -0.2101000    
 C    3.673800     -0.8208000     -0.7780000    
 C    2.498500      0.4803000      0.8685000    
 C    4.764700      9.3999999E-03 -0.5769000    
 C    3.642100       1.252200      0.9961000    
 H   -3.086600      0.6434000       1.183600    
 H   -1.375300      0.7129000       1.360400    
 H   -3.028700       1.215400      -1.197500    
 H   -1.258000       1.189600      -1.209700    
 H   6.8499997E-02  0.1670000      0.2813000    
 H    3.728300      -1.630200      -1.496600    
 H    1.643500      0.7035000       1.494800    
 H    5.685800     -0.1396000      -1.130700    
 H    3.677400       2.081900       1.694600    
 H   -1.986700       4.598000      -1.099100    
 H   -4.132800      -3.471300      0.3641000    


%chk=000136248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000136248

0 1
O -2.249939 3.393262 -1.060925
O -3.116626 -2.755550 -1.141650
O -0.559848 2.082763 -0.190393
O -4.536579 -1.273160 -0.056218
O 1.540653 -2.525756 -0.465215
N -0.979791 -1.390163 -0.270269
N 0.159850 -0.693872 0.042106
N 4.993564 1.155066 0.270643
C -2.438990 0.263220 1.048879
C -2.914470 1.556499 0.344651
C -2.151661 -0.911923 0.119164
C -1.789230 2.325217 -0.309054
C 2.611637 -0.398103 -0.015457
C -3.365208 -1.645808 -0.346542
C 1.417388 -1.306774 -0.185519
C 3.874876 -1.019023 0.155200
C 2.564793 1.019979 -0.053238
C 5.023567 -0.213147 0.297068
C 3.772767 1.740753 0.091561
H -3.256834 -0.056419 1.717448
H -1.557934 0.478558 1.681256
H -3.388026 2.238020 1.078796
H -3.698718 1.336236 -0.400839
H 0.099039 0.309558 0.295380
H 3.937474 -2.111144 0.165899
H 1.635888 1.575055 -0.213186
H 6.011707 -0.664746 0.436524
H 3.771924 2.836161 0.060549
H -1.487084 3.892996 -1.461671
H -3.988888 -3.167256 -1.389646


