%chk=000132911.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132911

0 1
 O    1.357100      -1.981600     -0.3407000    
 O    5.194900       1.954700      7.5400002E-02
 O   -2.428800       2.255400     -0.2348000    
 O   -4.415400       2.230000      -1.329500    
 N   -5.617300       1.300700      0.9559000    
 C   -2.589900     -0.8978000      0.2377000    
 C  -0.5014000      -1.671600       1.128500    
 C  -0.7204000      -1.209100      -1.232600    
 C   5.5000000E-02  -1.622900     -0.1496000    
 C   -4.032900     -0.5016000      0.4498000    
 C   -1.833400      -1.306400       1.323600    
 C   -2.052500     -0.8439000      -1.037500    
 C   0.3128000      -2.112500       2.300200    
 C  -0.1430000      -1.151200      -2.608400    
 C   -4.202400      0.9941000      0.7585000    
 C    2.465800       2.699300      0.4750000    
 C    2.889800       1.302500      0.1617000    
 C    2.316600     -0.9904000     -0.2365000    
 C    1.922000      0.3037000      5.4900002E-02
 C   0.2292000      -3.618700       2.529000    
 C  -0.3182000      -2.464300      -3.365500    
 C    4.236700      0.9912000     -2.4200000E-02
 C    1.554300       3.294600     -0.6139000    
 C    1.781000       2.810700       1.849700    
 C    3.648000      -1.317700     -0.4242000    
 C   -3.723200       1.871400     -0.3853000    
 C    4.615800     -0.3188000     -0.3172000    
 H   -4.607400     -0.7758000     -0.4463000    
 H   -4.455100      -1.105200       1.264900    
 H   -2.271600      -1.342100       2.317600    
 H   -2.660500     -0.5268000      -1.880700    
 H    1.361900      -1.816400       2.203400    
 H  -3.9400000E-02  -1.597500       3.203700    
 H  -0.6318000     -0.3481000      -3.175500    
 H   0.9162000     -0.8766000      -2.595800    
 H   -3.659300       1.276900       1.667600    
 H    3.343800       3.355100      0.5231000    
 H   0.8892000      0.5933000      0.2075000    
 H   0.6126000      -4.172100       1.665100    
 H   0.8227000      -3.901300       3.404200    
 H  -0.8042000      -3.937400       2.702000    
 H   -1.376400      -2.730800      -3.458800    
 H   0.1004000      -2.378100      -4.373200    
 H   0.1928000      -3.287100      -2.854300    
 H    2.037200       3.243000      -1.596100    
 H    1.338600       4.347200     -0.4005000    
 H   0.5966000       2.767700     -0.6834000    
 H   0.8306000       2.267200       1.882100    
 H    1.571500       3.858800       2.089700    
 H    2.425300       2.407800       2.639000    
 H    3.944300      -2.337100     -0.6520000    
 H    5.661400     -0.5755000     -0.4646000    
 H   -6.153700       1.006800      0.1398000    
 H   -5.978300      0.7524000       1.736000    
 H    6.066400       1.553500     -8.4299996E-02
 H   -2.129300       2.830200     -0.9711000    


%chk=000132911-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132911

0 1
O 1.276223 -2.010418 -0.285720
O 5.185633 2.051515 -0.041534
O -2.424379 2.315302 0.190152
O -4.090158 2.183770 -1.421964
N -5.762153 1.469767 0.815480
C -2.835848 -1.005118 0.071355
C -0.711072 -1.722001 1.115819
C -0.829641 -1.328072 -1.340102
C -0.108577 -1.663036 -0.166528
C -4.268515 -0.524667 0.216902
C -2.082734 -1.387372 1.208613
C -2.198419 -0.997844 -1.193553
C 0.084338 -2.151466 2.338139
C -0.165332 -1.347943 -2.707691
C -4.383924 0.975483 0.707695
C 2.515977 2.873904 0.350341
C 2.858050 1.408890 0.070969
C 2.229080 -0.954903 -0.216415
C 1.873865 0.394586 0.012598
C 0.296484 -3.688302 2.392235
C 0.020679 -2.790707 -3.249550
C 4.215016 1.022126 -0.106357
C 1.060640 3.254871 -0.007317
C 2.819628 3.217230 1.837678
C 3.577658 -1.326057 -0.391937
C -3.657350 1.877234 -0.287713
C 4.571239 -0.326849 -0.335367
H -4.811629 -0.597783 -0.743993
H -4.816936 -1.134143 0.961258
H -2.566065 -1.415230 2.194268
H -2.773205 -0.717005 -2.085580
H 1.073941 -1.657837 2.339356
H -0.444494 -1.820550 3.251935
H -0.780197 -0.764883 -3.418970
H 0.824989 -0.858090 -2.657695
H -3.880964 1.065836 1.685324
H 3.198829 3.488862 -0.267913
H 0.820299 0.657015 0.142342
H 0.857575 -4.029853 1.505367
H 0.868168 -3.971804 3.294962
H -0.671564 -4.221062 2.414996
H -0.951984 -3.307313 -3.340329
H 0.497284 -2.773971 -4.246869
H 0.661314 -3.377580 -2.568903
H 0.823107 2.993241 -1.056166
H 0.921102 4.344364 0.118398
H 0.333967 2.749434 0.657186
H 2.175636 2.623336 2.512998
H 2.629597 4.289171 2.033220
H 3.874526 3.004021 2.080662
H 3.831693 -2.374457 -0.570862
H 5.624967 -0.603658 -0.472396
H -6.217696 1.622631 -0.089603
H -6.345014 0.972997 1.493096
H 6.086547 1.687592 -0.224590
H -1.965503 2.858599 -0.508627


