%chk=000059970.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059970

0 1
 O  -0.3551000       1.085700     -0.5380000    
 O   0.8107000     -0.6376000      -1.487100    
 N   -4.150000     -0.3317000      0.5155000    
 N    1.788300      0.8115000      7.0100002E-02
 C   -1.604000      0.4262000     -0.7024000    
 C   -2.729700       1.430900     -0.4782000    
 C   -1.720000     -0.7270000      0.2904000    
 C   -4.095700      0.7458000     -0.4830000    
 C   -3.116800      -1.346100      0.2616000    
 C   -5.477100     -0.9465000      0.5332000    
 C   -6.530500      4.5800000E-02  0.9059000    
 C   0.7704000      0.3197000     -0.7240000    
 C    3.110700      0.3270000      0.1892000    
 C    3.992500      0.9637000       1.048200    
 C    3.500000     -0.7757000     -0.5548000    
 C    5.297500      0.4855000       1.166100    
 C    4.805100      -1.253900     -0.4367000    
 C    5.703800     -0.6232000      0.4238000    
 H   -1.675300      4.7800001E-02  -1.730800    
 H   -2.693100       2.206200      -1.253300    
 H   -2.574800       1.956200      0.4740000    
 H   -1.489400     -0.3692000       1.303100    
 H  -0.9845000      -1.510900      7.9400003E-02
 H   -4.826000       1.531500     -0.2655000    
 H   -4.313100      0.3615000      -1.488200    
 H   -3.281500      -1.838900     -0.7057000    
 H   -3.160900      -2.122800       1.034800    
 H   -5.721100      -1.410300     -0.4310000    
 H   -5.488200      -1.746600       1.284000    
 H   -6.254000      0.6273000       1.792500    
 H   -6.768700      0.7385000      9.2799999E-02
 H   -7.463500     -0.4777000       1.144900    
 H    1.560200       1.622000      0.6408000    
 H    3.686400       1.827900       1.631200    
 H    2.862400      -1.315600      -1.239800    
 H    5.997400      0.9764000       1.836100    
 H    5.122800      -2.117300      -1.014100    
 H    6.719800     -0.9956000      0.5158000    


%chk=000059970-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059970

0 1
O -0.292908 0.699347 0.231661
O 0.837739 -0.986291 -0.976650
N -4.424635 -0.332618 0.407199
N 1.957779 0.631380 0.351373
C -1.606026 0.141188 -0.217566
C -2.616214 1.291663 -0.166739
C -2.039511 -1.012050 0.701335
C -4.026413 0.762606 -0.511365
C -3.466211 -1.464877 0.325008
C -5.825013 -0.787352 0.201094
C -6.875492 0.275779 0.572163
C 0.852808 0.008735 -0.208152
C 3.328980 0.291701 0.189670
C 4.283053 1.083649 0.884237
C 3.766707 -0.787754 -0.623087
C 5.658946 0.800744 0.769200
C 5.148588 -1.056657 -0.726574
C 6.102657 -0.272897 -0.037873
H -1.474702 -0.232046 -1.252228
H -2.326565 2.088839 -0.875780
H -2.627444 1.720396 0.851957
H -2.034758 -0.659022 1.749023
H -1.337612 -1.859861 0.606449
H -4.751667 1.589084 -0.422322
H -4.043179 0.418682 -1.581300
H -3.451993 -1.914796 -0.703953
H -3.797631 -2.256330 1.022089
H -5.993673 -1.128021 -0.854727
H -5.974485 -1.673825 0.847103
H -6.690636 0.651611 1.593943
H -6.867879 1.136236 -0.120577
H -7.888760 -0.164844 0.538220
H 1.738465 1.428487 0.952917
H 3.946914 1.918480 1.512730
H 3.031394 -1.394019 -1.155849
H 6.383130 1.419502 1.310647
H 5.479694 -1.891076 -1.355193
H 7.171554 -0.493274 -0.127282


