%chk=000093532.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093532

0 1
 O    1.329000      -2.050500     -0.5239000    
 O    1.719900       2.205100      0.1813000    
 O   0.3456000     -0.2652000      -1.588300    
 O   -2.955700       1.744800       1.001100    
 N   -1.079900      0.3630000      0.7450000    
 N   -3.240000     -0.2360000     -2.3700001E-02
 N   -5.151400      -1.261700     -0.6160000    
 C  -0.5210000     -0.9753000      0.5536000    
 C   0.1569000      -1.491500       1.827500    
 C  -0.1804000       1.327200       1.361300    
 C   0.4195000      -1.042900     -0.6424000    
 C   -2.427600      0.7023000      0.6321000    
 C  -0.7230000      -1.416600       3.070600    
 C   0.3802000       2.234300      0.3087000    
 C    2.255700      -2.182500      -1.606800    
 C    3.482200      -1.330000      -1.311800    
 C  -0.2062000       3.096200     -0.5583000    
 C    4.181300      -1.775500     -2.8700000E-02
 C   -2.932900      -1.135000      -1.023400    
 C   -4.609300     -0.3355000      0.1411000    
 C   0.8594000       3.661300      -1.298700    
 C    2.010000       3.086800     -0.8112000    
 C   -4.112600      -1.762500      -1.345900    
 C    5.411400     -0.9585000      0.2339000    
 C    5.588800     -0.2018000       1.322800    
 H   -1.294200      -1.722800      0.3948000    
 H   0.3986000      -2.554800       1.685700    
 H    1.128500      -1.022500       2.017800    
 H  -0.7471000       1.944900       2.069200    
 H   0.6322000      0.8850000       1.935200    
 H  -0.9203000     -0.3873000       3.380900    
 H  -0.2279000      -1.920800       3.907100    
 H   -1.682700      -1.915400       2.900700    
 H    2.530900      -3.240500      -1.675300    
 H    1.801000      -1.908200      -2.565600    
 H    4.174600      -1.397200      -2.159700    
 H    3.187500     -0.2777000      -1.214200    
 H   -1.259900       3.309800     -0.6629000    
 H    3.492600      -1.708700      0.8219000    
 H    4.478100      -2.827800     -0.1142000    
 H   -1.976300      -1.208400      -1.509900    
 H   -5.147800      0.2869000      0.8436000    
 H   0.7966000       4.395400      -2.089000    
 H    3.058100       3.191600      -1.051200    
 H   -4.267500      -2.521200      -2.099000    
 H    6.206300     -0.9997000     -0.5062000    
 H    6.505600      0.3618000       1.456500    
 H    4.829400     -0.1295000       2.093400    


%chk=000093532-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093532

0 1
O 1.375342 -2.172174 -0.139846
O 1.908450 1.537598 0.247374
O 0.163375 -0.794623 -1.570981
O -2.872945 1.773646 1.031703
N -1.135437 0.220491 0.866444
N -3.292575 -0.211538 -0.140751
N -5.261435 -1.143965 -0.783411
C -0.675106 -1.184491 0.730331
C -0.179807 -1.796262 2.068045
C -0.218383 1.228112 1.486897
C 0.324499 -1.322545 -0.446421
C -2.428872 0.666663 0.616642
C -1.227915 -1.681938 3.193207
C 0.597682 2.011463 0.505700
C 2.346311 -2.469113 -1.247699
C 3.436839 -1.396913 -1.348396
C 0.368142 3.151126 -0.246540
C 4.267175 -1.228334 -0.049019
C -3.033731 -0.903986 -1.349009
C -4.662436 -0.377261 0.137386
C 1.568900 3.410335 -1.014532
C 2.478635 2.419108 -0.692068
C -4.252573 -1.462890 -1.719512
C 5.451863 -0.305082 -0.245159
C 5.677583 0.840926 0.446469
H -1.558697 -1.773878 0.415543
H 0.050152 -2.858210 1.870720
H 0.779677 -1.341687 2.374727
H -0.856849 1.921713 2.057227
H 0.449032 0.706250 2.191027
H -1.443971 -0.629603 3.451028
H -0.868130 -2.185560 4.107807
H -2.183440 -2.157100 2.901344
H 2.757748 -3.450734 -0.958738
H 1.776962 -2.547711 -2.190709
H 4.105511 -1.697631 -2.181758
H 2.980668 -0.433301 -1.634885
H -0.555589 3.726677 -0.252371
H 3.616931 -0.845185 0.757359
H 4.632599 -2.228007 0.270331
H -2.060212 -0.863752 -1.833324
H -5.132852 0.083973 1.001299
H 1.733093 4.229899 -1.711270
H 3.502732 2.196246 -0.979889
H -4.475965 -2.060435 -2.600207
H 6.175413 -0.612490 -1.018429
H 6.563222 1.459822 0.261335
H 4.984583 1.185250 1.224475


