%chk=000019777.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019777

0 1
 O   -2.238400      -1.938300     -0.3298000    
 O   0.5489000     -0.7684000      -1.823000    
 N   0.9749000      -1.046700      0.4394000    
 C   -4.683700     -0.6331000      0.2856000    
 C   -3.393500      0.1012000      0.1239000    
 C   -2.215300     -0.5821000     -0.1774000    
 C   -1.019300      0.1209000     -0.3237000    
 C   -1.001800       1.507100     -0.1686000    
 C   -3.376000       1.487300      0.2788000    
 C   -5.734600     -0.2100000     -0.7571000    
 C   -5.266200     -0.4913000       1.703900    
 C   -2.180200       2.190200      0.1326000    
 C   0.2105000     -0.5972000     -0.6408000    
 C   0.2633000       2.287800     -0.3195000    
 C    2.227700      -1.751400      0.2886000    
 C    3.399000     -0.8130000      0.2502000    
 C    3.833900     -0.3058000     -0.9687000    
 C    4.036800     -0.4603000       1.433800    
 C    4.922100      0.5662000      -1.004600    
 C    5.124900      0.4119000       1.397800    
 C    5.567400      0.9251000      0.1786000    
 H   -4.552100      -1.707600      0.1246000    
 H   -4.280500       2.041500      0.5137000    
 H   -6.037700      0.8354000     -0.6345000    
 H   -6.634700     -0.8283000     -0.6686000    
 H   -5.344000     -0.3295000      -1.773800    
 H   -4.539600     -0.8168000       2.456500    
 H   -6.163500      -1.110100       1.814200    
 H   -5.546700      0.5425000       1.932000    
 H   -2.184500       3.269800      0.2572000    
 H   0.9894000       1.993800      0.4454000    
 H   0.6982000       2.130100      -1.312000    
 H   9.2900001E-02   3.364500     -0.2100000    
 H    2.195800      -2.361400     -0.6219000    
 H    2.317500      -2.445800       1.131800    
 H   0.6504000     -0.8537000       1.382800    
 H   -2.739900      -2.323700      0.4082000    
 H    3.342600     -0.5794000      -1.898000    
 H    3.699300     -0.8525000       2.389200    
 H    5.267100      0.9654000      -1.954000    
 H    5.627200      0.6919000       2.319200    
 H    6.414500       1.604200      0.1507000    


%chk=000019777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000019777

0 1
O -1.247911 -1.172464 0.472895
O 1.002713 0.571741 -2.602625
N 1.055212 -0.635921 -0.629231
C -4.003914 -0.567301 1.046173
C -3.220460 0.168232 -0.050663
C -1.853490 -0.143632 -0.296205
C -1.048279 0.525141 -1.271197
C -1.660231 1.589124 -2.020698
C -3.786168 1.206439 -0.818986
C -5.537283 -0.509509 0.856577
C -3.617904 -0.025858 2.455924
C -3.018985 1.902576 -1.771960
C 0.397794 0.153529 -1.557775
C -0.936866 2.415101 -3.070202
C 2.455650 -1.035931 -0.814770
C 3.313081 -0.775221 0.419948
C 3.216973 0.453731 1.122077
C 4.244738 -1.744843 0.866392
C 4.038636 0.708516 2.241539
C 5.070749 -1.491962 1.986011
C 4.970497 -0.263480 2.677878
H -3.743124 -1.653234 1.009158
H -4.835599 1.480258 -0.672490
H -5.918433 0.518304 0.998241
H -6.035132 -1.149784 1.606862
H -5.837017 -0.855445 -0.148443
H -2.527514 -0.056272 2.635435
H -4.118130 -0.608257 3.251739
H -3.936550 1.027939 2.550302
H -3.481305 2.712469 -2.346463
H 0.008552 2.835017 -2.687950
H -0.646862 1.799515 -3.937739
H -1.589496 3.239638 -3.408691
H 2.823445 -0.458407 -1.684323
H 2.517028 -2.108776 -1.089393
H 0.508305 -1.033402 0.142566
H -1.918481 -1.634813 1.032219
H 2.492797 1.204723 0.785716
H 4.324774 -2.702337 0.335787
H 3.955757 1.663699 2.772854
H 5.786371 -2.252374 2.319239
H 5.608165 -0.066070 3.546973


