%chk=000017537.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017537

0 1
 O   -2.935200     -0.8375000      0.3469000    
 O   -1.692000     -0.2490000      -1.504100    
 N   0.5169000     -3.9799999E-02  0.1896000    
 C   0.3107000       1.331200      0.6599000    
 C    1.768200     -0.5781000      0.7095000    
 C    1.157300       2.305600     -0.1572000    
 C    2.278400      -1.700500     -0.1926000    
 C  -0.6112000     -0.8862000      0.5827000    
 C   0.9404000       3.747200      0.3041000    
 C    3.602600      -2.265400      0.3232000    
 C    1.806400       4.719800     -0.4808000    
 C    4.099300      -3.407000     -0.5495000    
 C   -1.773600     -0.6125000     -0.3387000    
 C   -4.140600     -0.6190000     -0.3933000    
 C   -5.327500     -0.9089000      0.5003000    
 H  -0.7370000       1.633400      0.5334000    
 H   0.5307000       1.423700       1.731800    
 H    2.556200      0.1819000      0.7456000    
 H    1.650500     -0.9334000       1.742200    
 H   0.8931000       2.222100      -1.219400    
 H    2.225000       2.075200     -7.7699997E-02
 H    1.551500      -2.517700     -0.2562000    
 H    2.420100      -1.319600      -1.212300    
 H  -0.8949000     -0.7065000       1.627300    
 H  -0.3963000      -1.954400      0.4737000    
 H    1.178500       3.837000       1.370400    
 H  -0.1133000       4.023600      0.1819000    
 H    3.477800      -2.628400       1.350100    
 H    4.361400      -1.474600      0.3479000    
 H    2.869300       4.493300     -0.3498000    
 H    1.632800       5.744200     -0.1368000    
 H    1.574600       4.676600      -1.549800    
 H    3.378600      -4.230900     -0.5663000    
 H    5.047800      -3.793600     -0.1640000    
 H    4.262200      -3.071500      -1.578700    
 H   -4.160600      -1.285000      -1.263200    
 H   -4.177300      0.4226000     -0.7314000    
 H   -6.268000     -0.7515000     -3.5100002E-02
 H   -5.311200     -0.2628000       1.384300    
 H   -5.294800      -1.942200      0.8613000    


%chk=000017537-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017537

0 1
O -2.958132 -1.060928 0.328135
O -2.099044 0.815379 -0.756239
N 0.505143 0.228473 0.433653
C 0.502644 1.670716 0.801639
C 1.754129 -0.481874 0.811922
C 1.321358 2.537372 -0.176639
C 2.069039 -1.693831 -0.090869
C -0.702542 -0.489217 0.857791
C 1.337439 4.028903 0.228827
C 3.375399 -2.412175 0.318861
C 2.149978 4.903709 -0.750124
C 3.693624 -3.627600 -0.578388
C -1.945435 -0.136938 0.037607
C -4.266321 -0.840342 -0.362386
C -5.189255 -1.975183 0.069458
H -0.542377 2.026031 0.775058
H 0.877835 1.823663 1.846831
H 2.587095 0.240169 0.726310
H 1.734430 -0.811100 1.884112
H 0.882682 2.420405 -1.185472
H 2.365343 2.167597 -0.238065
H 1.234688 -2.424367 -0.061945
H 2.138255 -1.340538 -1.137666
H -0.967798 -0.325011 1.935486
H -0.548272 -1.577106 0.752455
H 1.756572 4.130220 1.251596
H 0.294773 4.403629 0.280720
H 3.298891 -2.741824 1.375643
H 4.218067 -1.691709 0.278599
H 3.205344 4.573788 -0.794692
H 2.140676 5.967306 -0.448025
H 1.735769 4.838362 -1.773693
H 2.882069 -4.378095 -0.530301
H 4.632175 -4.124112 -0.270602
H 3.803017 -3.321228 -1.635640
H -4.086179 -0.830042 -1.452564
H -4.650476 0.153980 -0.069606
H -6.176553 -1.860196 -0.414142
H -5.335497 -1.970694 1.163165
H -4.771754 -2.954192 -0.221611


