%chk=000017718.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017718

0 1
 O   -2.827000      -2.629200     -0.2792000    
 O    2.827800      -2.629000      0.2788000    
 N   -3.453400     -0.5970000      0.6948000    
 N    3.453800     -0.5965000     -0.6946000    
 C   -2.886200      0.5998000      8.2000000E-03
 C    2.886200      0.6000000     -8.1000002E-03
 C   -1.395000      0.6005000      4.0000002E-03
 C    1.394800      0.6001000     -4.1000000E-03
 C  -0.7012000      0.6008000      -1.206000    
 C   0.6936000      0.6005000      -1.210100    
 C  -0.6941000      0.6001000       1.210000    
 C   0.7009000      0.5999000       1.206000    
 C   -3.567200      0.5994000      -1.389800    
 C   -3.430400       1.825100      0.7857000    
 C    3.566700      0.5997000       1.390000    
 C    3.430100       1.825500     -0.7853000    
 C   -3.134100      -1.600000      0.2007000    
 C    3.134800      -1.599700     -0.2009000    
 H   -1.196600      0.6019000      -2.170700    
 H    1.212000      0.5887000      -2.164900    
 H   -1.212500      0.5878000       2.164800    
 H    1.196200      0.6006000       2.170700    
 H   -3.268000     -0.2459000      -2.020800    
 H   -3.335600       1.520600      -1.938400    
 H   -4.659700      0.5513000      -1.295000    
 H   -3.143400       1.806900       1.843000    
 H   -3.062200       2.762500      0.3529000    
 H   -4.526700       1.851300      0.7627000    
 H    3.267700     -0.2459000       2.020800    
 H    3.334500       1.520700       1.938700    
 H    4.659300      0.5522000       1.295500    
 H    3.143300       1.807200      -1.842700    
 H    3.061300       2.762800     -0.3526000    
 H    4.526300       1.852400     -0.7620000    


%chk=000017718-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017718

0 1
O -5.373897 0.551191 2.903397
O 5.368433 0.560683 -2.909203
N -3.462871 0.553312 1.389127
N 3.463078 0.554676 -1.387991
C -2.976776 0.555916 -0.001179
C 2.976984 0.554173 0.001823
C -1.433405 0.555941 0.013182
C 1.433526 0.555162 -0.012368
C -0.714094 0.557164 -1.207205
C 0.696480 0.556758 -1.219629
C -0.696410 0.554365 1.220464
C 0.714179 0.554082 1.208035
C -3.513094 -0.723139 -0.708512
C -3.513704 1.837234 -0.704183
C 3.512543 -0.727316 0.705591
C 3.515122 1.833000 0.708389
C -4.466731 0.552711 2.085350
C 4.463857 0.558447 -2.088212
H -1.247949 0.558501 -2.164980
H 1.238443 0.557442 -2.169781
H -1.238479 0.553309 2.170564
H 1.247995 0.553016 2.165831
H -3.167393 -1.627993 -0.180668
H -3.150060 -0.768809 -1.749232
H -4.617823 -0.717491 -0.724254
H -3.168039 2.740361 -0.173389
H -3.151096 1.886378 -1.744861
H -4.618426 1.831148 -0.719378
H 3.165351 -1.630371 0.175679
H 3.150322 -0.775142 1.746476
H 4.617285 -0.722910 0.720309
H 3.169533 2.737994 0.180706
H 3.153264 1.879053 1.749452
H 4.619854 1.826252 0.722754


