%chk=000091913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091913

0 1
 O   -4.356400       1.490100      -1.008500    
 O   -6.630000      -2.874300       1.074500    
 O    3.529200       3.874800      0.2862000    
 N   -2.301800       1.327900      0.5931000    
 C   -4.201600     -0.2582000      0.5842000    
 C   -4.803200      -1.398400       1.121200    
 C   -2.971500      0.1839000       1.085400    
 C   -6.151800      1.0500000E-02  -1.030500    
 C   -6.753600      -1.129500     -0.4932000    
 C   -4.853900      0.4877000     -0.5114000    
 C   -6.101500      -1.875300      0.6024000    
 C   -4.174400      -2.096600       2.159100    
 C   -2.348300     -0.5148000       2.119800    
 C   -2.948400      -1.652600       2.655400    
 C   -6.780600      0.7087000      -2.068400    
 C   -7.984200      -1.571100     -0.9938000    
 C  -0.9402000       1.666000      0.5014000    
 C   -8.007000      0.2652000      -2.564200    
 C   -8.607400     -0.8724000      -2.028200    
 C    1.765800       2.338500      0.3195000    
 C   2.2100000E-02  0.6662000      0.3396000    
 C  -0.5430000       3.003600      0.5721000    
 C    1.372900       1.001900      0.2489000    
 C   0.8078000       3.339300      0.4812000    
 C    4.244500       1.660500      4.8900001E-02
 C    3.174100       2.688300      0.2236000    
 C    6.211800     -0.2339000     -0.2718000    
 C    4.610600       1.302400      -1.227500    
 C    4.819100       1.112500       1.172000    
 C    7.247300      -1.230500     -0.4408000    
 C    5.608400      0.3414000      -1.390200    
 C    5.817100      0.1517000       1.009300    
 C    6.909500      -2.581500     -0.5162000    
 C    8.583400     -0.8394000     -0.5261000    
 C    7.908300      -3.541900     -0.6771000    
 C    9.582100      -1.799700     -0.6871000    
 C    9.244600      -3.151100     -0.7627000    
 H   -4.622500      -2.985400       2.594900    
 H   -1.409300     -0.1844000       2.555400    
 H   -2.927700       2.065700      0.2846000    
 H   -2.465000      -2.191100       3.465600    
 H   -6.335300       1.598600      -2.505000    
 H   -8.473100      -2.455100     -0.5930000    
 H   -8.494400      0.8074000      -3.369400    
 H   -9.562100      -1.215600      -2.416200    
 H  -0.2551000     -0.3811000      0.2547000    
 H   -1.279700       3.793000      0.6988000    
 H    2.084200      0.1921000      0.1178000    
 H    1.087400       4.387900      0.5393000    
 H    4.143300       1.747800      -2.100400    
 H    4.514500       1.409900       2.170700    
 H    5.904000      5.2099999E-02  -2.396000    
 H    6.276900     -0.2869000       1.891900    
 H    5.872800      -2.903500     -0.4510000    
 H    8.864000      0.2097000     -0.4686000    
 H    7.645700      -4.594100     -0.7359000    
 H    10.62260      -1.495400     -0.7536000    
 H    10.02230      -3.898800     -0.8880000    


%chk=000091913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000091913

0 1
O -4.718860 1.714159 -0.783138
O -7.088255 -2.677485 1.583020
O 3.321912 3.318786 -1.807849
N -2.373253 0.891141 -0.050256
C -4.425370 -0.330750 0.479789
C -5.056937 -1.449942 1.120379
C -2.985129 -0.185793 0.579700
C -6.707767 0.434143 -0.366642
C -7.337276 -0.688110 0.244774
C -5.239478 0.654525 -0.249821
C -6.536990 -1.675007 1.024381
C -4.303266 -2.377820 1.863085
C -2.254929 -1.124154 1.376976
C -2.906772 -2.195074 2.003288
C -7.489950 1.364076 -1.096511
C -8.736883 -0.867473 0.118735
C -1.003369 1.137898 -0.288397
C -8.881014 1.177458 -1.219921
C -9.506993 0.059230 -0.610999
C 1.720536 1.799458 -0.862123
C -0.033843 0.112023 -0.475937
C -0.597724 2.498032 -0.435174
C 1.306276 0.444110 -0.747329
C 0.735058 2.817116 -0.726924
C 4.283504 1.319176 -0.885831
C 3.118382 2.207241 -1.217812
C 6.616887 -0.236515 -0.276109
C 5.452667 1.413563 -1.688172
C 4.305884 0.452944 0.240901
C 7.825151 -1.051754 0.032638
C 6.591099 0.644617 -1.395813
C 5.453832 -0.306066 0.539802
C 8.665422 -1.533564 -1.009837
C 8.172908 -1.369682 1.375353
C 9.810393 -2.305542 -0.721115
C 9.317672 -2.141436 1.665337
C 10.143174 -2.614085 0.618495
H -4.826479 -3.215152 2.333175
H -1.184199 -0.977047 1.533917
H -3.074406 1.566008 -0.440775
H -2.324609 -2.889953 2.617786
H -6.983388 2.218918 -1.554153
H -9.191288 -1.738017 0.602070
H -9.480613 1.897430 -1.786942
H -10.588592 -0.082214 -0.708069
H -0.335399 -0.939095 -0.470623
H -1.341820 3.292512 -0.308869
H 2.025721 -0.361579 -0.925381
H 1.047103 3.858563 -0.855405
H 5.447115 2.113270 -2.530334
H 3.433880 0.391807 0.900218
H 7.485454 0.750658 -2.019579
H 5.438941 -0.980037 1.403439
H 8.403880 -1.329341 -2.054305
H 7.563485 -0.981761 2.199471
H 10.437729 -2.673435 -1.540631
H 9.571568 -2.365336 2.707441
H 11.032519 -3.212944 0.843306


