%chk=000001676.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001676

0 1
 O    1.110900      -2.583200      0.2934000    
 O   -3.236000      -1.180500     -0.4264000    
 N   0.7257000     -0.2759000      0.3241000    
 N   -1.043700      -1.849900     -6.0500000E-02
 N   -2.182500       1.636600     -0.1156000    
 N  -3.1199999E-02   2.070400      0.2891000    
 C    2.114100      7.4600004E-02  0.5873000    
 C  -0.2376000      0.7208000      0.1944000    
 C    2.915400      0.2733000     -0.6936000    
 C   -1.554000      0.4271000     -5.4499999E-02
 C   0.3332000      -1.629700      0.1956000    
 C   -2.063500     -0.8973000     -0.2029000    
 C    4.373700      0.6186000     -0.4276000    
 C   -1.224500       2.595000      9.7400002E-02
 H    2.568600     -0.7332000       1.173800    
 H    2.149200      0.9746000       1.212800    
 H    2.869700     -0.6365000      -1.304400    
 H    2.463600       1.072600      -1.293400    
 H   -1.326300      -2.821900     -0.1532000    
 H   -3.166200       1.799700     -0.2854000    
 H    4.867900     -0.1801000      0.1345000    
 H    4.910300      0.7534000      -1.371800    
 H    4.456400       1.546400      0.1473000    
 H   -1.462900       3.649000      9.9500000E-02


%chk=000001676-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001676

0 1
O 1.142510 -2.593397 0.313974
O -3.303894 -1.260790 -0.436879
N 0.715730 -0.279553 0.344576
N -1.049295 -1.851644 -0.048340
N -2.222600 1.676967 -0.123731
N -0.022389 2.092297 0.293562
C 2.142615 0.051120 0.589137
C -0.239847 0.719137 0.199930
C 2.929948 0.275632 -0.720701
C -1.591422 0.431192 -0.058058
C 0.331556 -1.632498 0.209714
C -2.108865 -0.908750 -0.205040
C 4.404875 0.621457 -0.427645
C -1.248840 2.638618 0.092834
H 2.577484 -0.790345 1.154781
H 2.166120 0.963747 1.210226
H 2.871848 -0.641209 -1.337321
H 2.455339 1.095746 -1.292178
H -1.303908 -2.840985 -0.134737
H -3.217274 1.819631 -0.299547
H 4.903141 -0.193392 0.130378
H 4.966430 0.778734 -1.365797
H 4.487536 1.546574 0.173606
H -1.456502 3.705612 0.097160


