%chk=000163490.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163490

0 1
 O   -2.835600       1.003100      -1.086300    
 O   -1.281000      -1.499300       1.056100    
 O    1.068900      -1.677700      0.7789000    
 O   -2.247100       1.114200       1.199400    
 O  -0.2380000      0.8207000      -1.574300    
 O    5.887100     -0.9696000      -1.014900    
 O    4.041500       2.637700       1.179400    
 N    4.931300      0.8341000      5.4499999E-02
 C   -1.425700     -0.6793000     -0.1061000    
 C   -2.614900      0.2474000      0.1191000    
 C  -0.1268000      0.1008000     -0.3545000    
 C    1.064700     -0.8675000     -0.4004000    
 C    2.403900     -0.1424000     -0.4663000    
 C   -3.952200     -0.4546000      0.4132000    
 C   -4.901500      0.6054000     -6.7500003E-02
 C    3.561700      -1.135600     -0.4651000    
 C    2.567400      0.8076000      0.7159000    
 C   -4.193000       1.477200      -1.049700    
 C  -0.1653000      -2.376200      0.9234000    
 C   -4.185400      -1.748700     -0.3663000    
 C    4.895100     -0.4286000     -0.5271000    
 C    3.893000       1.530000      0.6640000    
 C   -6.148100      0.8011000      0.3747000    
 H   -1.621800      -1.315300     -0.9802000    
 H  -4.1000000E-03  0.8123000      0.4637000    
 H   0.9826000      -1.522600      -1.278800    
 H    2.450100      0.4439000      -1.394800    
 H   -4.074600     -0.6428000       1.486300    
 H    3.487100      -1.798300      -1.335000    
 H    3.568700      -1.758500      0.4369000    
 H    2.511200      0.2851000       1.677400    
 H    1.811900       1.598100      0.7054000    
 H   -4.610500       1.391600      -2.056500    
 H   -4.184400       2.525300     -0.7351000    
 H  -0.3167000      -3.068600      8.6000003E-02
 H  -0.1026000      -2.971800       1.838600    
 H   -4.033000      -1.614400      -1.443300    
 H   -3.514900      -2.543000     -2.4000000E-02
 H   -5.209900      -2.110200     -0.2210000    
 H   -3.054600       1.430500       1.637000    
 H  -0.3470000      0.1763000      -2.294300    
 H    5.830000       1.308100      3.1199999E-02
 H   -6.586000      0.1466000       1.120400    
 H   -6.753000       1.618600     -2.4999999E-03


%chk=000163490-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163490

0 1
O -2.866518 0.868914 -1.194332
O -1.302046 -1.545829 1.132310
O 1.104420 -1.621695 0.920841
O -2.328169 1.153957 1.146026
O -0.156418 0.768202 -1.627686
O 5.962594 -1.011166 -1.213931
O 4.412552 2.507689 1.363889
N 5.106669 0.728044 0.055858
C -1.424761 -0.705442 -0.077101
C -2.660333 0.184755 0.123636
C -0.133268 0.127181 -0.313593
C 1.090316 -0.813965 -0.325921
C 2.442226 -0.088732 -0.437270
C -4.033348 -0.490840 0.396732
C -4.982871 0.599554 -0.108489
C 3.583389 -1.120096 -0.601860
C 2.723807 0.818636 0.784150
C -4.290258 1.295076 -1.278429
C -0.118890 -2.393016 1.029155
C -4.232756 -1.823886 -0.367066
C 4.968379 -0.495371 -0.637072
C 4.113917 1.436324 0.772533
C -6.191422 0.923882 0.407517
H -1.589557 -1.346029 -0.971093
H -0.053812 0.867943 0.503897
H 0.974297 -1.501599 -1.196450
H 2.377233 0.540871 -1.345530
H -4.149832 -0.673274 1.478495
H 3.470787 -1.709432 -1.528358
H 3.548587 -1.837541 0.242422
H 2.614483 0.227185 1.714870
H 2.010296 1.656035 0.853312
H -4.668489 0.961917 -2.262036
H -4.355554 2.396810 -1.220856
H -0.217926 -3.056697 0.137303
H -0.061160 -2.958796 1.968797
H -4.079562 -1.695875 -1.453608
H -3.527095 -2.586225 0.005300
H -5.260396 -2.192784 -0.207356
H -3.157038 1.567475 1.501035
H -1.061001 1.174659 -1.749849
H 6.045264 1.147111 0.052377
H -6.613709 0.377370 1.258227
H -6.804529 1.729402 -0.013296


