%chk=000010384.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010384

0 1
 O    5.459300      -1.266900      0.1454000    
 O   -1.930400      -1.556000      0.5195000    
 O    5.901100       1.429900     -0.3616000    
 N   -2.717900      0.5858000      0.9682000    
 N   -8.594500     -0.2321000      -1.048800    
 C   -4.893500      0.3243000     -0.1617000    
 C   -6.377300     -1.1300000E-02  3.3100002E-02
 C   -4.105100      0.2535000       1.143100    
 C   -7.192400      0.1090000      -1.256400    
 C   -1.738900     -0.3536000      0.6688000    
 C    2.047800      4.0000002E-03  8.4100001E-02
 C  -0.3884000      0.2649000      0.5422000    
 C   0.6720000     -0.4996000      0.2428000    
 C    3.110200     -0.8788000      0.1910000    
 C    4.412400     -0.4015000      4.1700002E-02
 C    2.251800       1.351000     -0.1678000    
 C    4.634100      0.9521000     -0.2124000    
 C    3.553900       1.828300     -0.3170000    
 C    5.895700      -1.903000      -1.054200    
 H   -4.799300       1.331000     -0.5880000    
 H   -4.456700     -0.3653000     -0.8948000    
 H   -6.462700      -1.032000      0.4272000    
 H   -6.800700      0.6585000      0.7924000    
 H   -4.515200      0.9608000       1.871900    
 H   -4.178400     -0.7519000       1.572600    
 H   -7.130500       1.133900      -1.638000    
 H   -6.772900     -0.5524000      -2.022600    
 H   -2.460800       1.563900       1.064000    
 H   -9.086800     -0.1975000      -1.940400    
 H   -8.668000      -1.193400     -0.7183000    
 H  -0.3168000       1.332000      0.7175000    
 H   0.5516000      -1.571200      0.1011000    
 H    2.946000      -1.934900      0.3909000    
 H    1.441800       2.064600     -0.2795000    
 H    3.712800       2.884100     -0.5197000    
 H    5.860700       2.386600     -0.5324000    
 H    6.227200      -1.160000      -1.786300    
 H    5.092900      -2.515300      -1.477200    
 H    6.739800      -2.553600     -0.8094000    


%chk=000010384-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000010384

0 1
O 5.283588 -1.711765 -0.097170
O -2.013938 -1.390275 0.843186
O 6.136137 1.031401 -0.450865
N -2.842997 0.789428 0.876813
N -8.771065 -0.482068 -0.962805
C -5.076024 0.387915 -0.222602
C -6.535754 -0.049089 0.028376
C -4.239678 0.377911 1.079630
C -7.385696 -0.060333 -1.258478
C -1.808055 -0.135464 0.751438
C 2.026248 0.072350 0.152925
C -0.464342 0.464106 0.512322
C 0.636872 -0.336503 0.390840
C 3.028721 -0.934086 0.084135
C 4.388736 -0.632951 -0.135139
C 2.429352 1.427223 -0.022770
C 4.770526 0.732642 -0.284844
C 3.780390 1.744973 -0.240498
C 6.324051 -1.800189 -1.143973
H -5.063731 1.405151 -0.666699
H -4.594113 -0.289805 -0.953734
H -6.539838 -1.065206 0.477075
H -7.024909 0.623285 0.760116
H -4.708066 1.039544 1.834542
H -4.208051 -0.646600 1.490471
H -7.423351 0.965733 -1.673737
H -6.869238 -0.696454 -2.019937
H -2.635324 1.783018 0.764967
H -9.427519 -0.357109 -1.739698
H -8.834713 -1.423582 -0.560891
H -0.393199 1.558476 0.441271
H 0.445849 -1.415773 0.486074
H 2.763136 -1.989505 0.208331
H 1.690124 2.233611 0.010416
H 4.082406 2.793918 -0.365377
H 6.273400 2.010482 -0.491257
H 7.026832 -0.954392 -1.080606
H 5.857771 -1.830576 -2.147674
H 6.839363 -2.751541 -0.943176


