%chk=000100757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100757

0 1
 O    3.013900       2.179800     -0.4760000    
 O    3.793800     -0.6266000       1.576600    
 O    5.670700      -1.263100      0.4723000    
 N    2.422300     -5.1300000E-02 -0.5756000    
 N    1.474900      -1.022600     -0.4987000    
 N   0.1758000       4.206100      1.4000000E-02
 C  -0.2241000      0.7397000     -0.1173000    
 C   0.2548000     -0.6618000     -0.2788000    
 C   -1.649400       1.070200      7.3700003E-02
 C   0.7273000       1.685300     -0.1954000    
 C  -0.7540000      -1.734900     -0.1846000    
 C    2.152800       1.299300     -0.4249000    
 C    3.770300     -0.5396000     -0.8161000    
 C   -2.467900       1.276200      -1.034200    
 C   -2.170500       1.174600       1.361300    
 C   -1.413000      -2.162700      -1.331800    
 C   -1.035600      -2.308700       1.050200    
 C   -3.815300       1.588800     -0.8538000    
 C   -3.518000       1.487200       1.541600    
 C   -2.366300      -3.177100      -1.243100    
 C   -1.988900      -3.323200       1.138800    
 C   -4.340300       1.694200      0.4340000    
 C   -2.654200      -3.757400     -7.7999998E-03
 C   0.4230000       3.076700     -7.9800002E-02
 C    4.518000     -0.8489000      0.4553000    
 H    4.334500      0.2271000      -1.356800    
 H    3.716100      -1.447700      -1.425800    
 H   -2.073000       1.197500      -2.044100    
 H   -1.542000       1.015300       2.233900    
 H   -1.194800      -1.717800      -2.299000    
 H  -0.5224000      -1.977500       1.948900    
 H   -4.455600       1.749800      -1.716100    
 H   -3.927000       1.568800       2.544400    
 H   -2.884300      -3.515100      -2.135800    
 H   -2.213300      -3.775000       2.100600    
 H   -5.389400       1.937300      0.5745000    
 H   -3.396500      -4.547100      6.1299998E-02
 H    4.301600     -0.8356000       2.389500    


%chk=000100757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100757

0 1
O 3.179553 1.918645 -0.829990
O 3.768819 0.064376 1.819882
O 5.813401 -0.435203 0.825790
N 2.373871 -0.242543 -0.462880
N 1.397398 -1.178726 -0.275663
N 0.379241 4.167165 -0.676973
C -0.258494 0.638962 -0.319890
C 0.110574 -0.770134 -0.223811
C -1.664768 1.094923 -0.113781
C 0.772755 1.569281 -0.542641
C -0.869749 -1.890252 -0.092638
C 2.183915 1.163067 -0.639774
C 3.752722 -0.746570 -0.469734
C -2.298697 1.948054 -1.055532
C -2.374246 0.709009 1.056012
C -2.065955 -1.925576 -0.857586
C -0.568446 -2.982381 0.763801
C -3.618920 2.396150 -0.838409
C -3.686641 1.173047 1.278854
C -2.945177 -3.024375 -0.756305
C -1.451692 -4.077395 0.867713
C -4.316039 2.013486 0.330413
C -2.645522 -4.101754 0.109335
C 0.538913 2.983924 -0.612677
C 4.572423 -0.351969 0.760647
H 4.295413 -0.358183 -1.346607
H 3.699023 -1.845628 -0.526971
H -1.766329 2.251391 -1.963486
H -1.893541 0.056952 1.792607
H -2.306724 -1.104124 -1.539317
H 0.361832 -2.963084 1.340665
H -4.097212 3.048256 -1.576674
H -4.217669 0.878300 2.190188
H -3.861442 -3.040576 -1.356311
H -1.209700 -4.909308 1.538099
H -5.338030 2.368318 0.502477
H -3.332467 -4.951425 0.189569
H 4.341607 0.336098 2.586995


