%chk=000117307.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117307

0 1
 O   0.8981000       3.592100     -0.3173000    
 O  -0.9251000     -0.3410000       2.061700    
 O   -1.303800       3.888600     -0.8427000    
 O    2.870600       2.678700      0.3806000    
 N   -1.202700       1.031000      0.1667000    
 N   0.8890000      0.4204000      0.7656000    
 C  -0.3373000       1.664000     -0.8054000    
 C    1.065600       1.258400     -0.4008000    
 C  -0.4693000      0.2988000       1.122100    
 C  -0.3399000       3.156900     -0.6778000    
 C    1.741800       2.553600     -6.8899997E-02
 C   -2.648000       1.103200      9.8399997E-02
 C    1.976400     -0.2161000       1.480300    
 C   -3.269300     -0.2491000     -0.1003000    
 C    2.754700      -1.152100      0.6013000    
 C   -4.536400     -0.5055000      0.4104000    
 C    2.375600      -2.486400      0.5118000    
 C   -2.571200      -1.231400     -0.7928000    
 C    3.846800     -0.6752000     -0.1139000    
 C   -5.113400      -1.762000      0.2262000    
 C    3.098900      -3.356100     -0.3044000    
 C   -3.148200      -2.487900     -0.9772000    
 C    4.570100      -1.544700     -0.9303000    
 C   -4.419300      -2.753100     -0.4677000    
 C    4.196100      -2.885200      -1.025500    
 H  -0.5878000       1.352100      -1.823200    
 H    1.582400      0.7357000      -1.209500    
 H   -2.950200       1.770100     -0.7155000    
 H   -2.983100       1.529500       1.051100    
 H    1.576600     -0.7604000       2.344300    
 H    2.627000      0.5632000       1.892200    
 H   -5.086200      0.2600000      0.9507000    
 H    1.521000      -2.863000       1.067100    
 H   -1.590600      -1.055100      -1.224100    
 H    4.155700      0.3631000     -4.4799998E-02
 H   -6.103400      -1.968500      0.6222000    
 H    2.807400      -4.399600     -0.3791000    
 H   -2.610300      -3.258300      -1.521900    
 H    5.425400      -1.178600      -1.490600    
 H   -4.869200      -3.731000     -0.6125000    
 H    4.759400      -3.562300      -1.660900    


%chk=000117307-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117307

0 1
O 0.272672 3.424778 -0.727259
O -0.141391 -0.151602 2.802997
O -2.058386 3.279775 -0.859688
O 2.547244 2.897889 -0.583528
N -1.136947 0.789505 0.855906
N 1.110978 0.522111 0.893768
C -0.708638 1.201697 -0.485560
C 0.840865 1.064917 -0.439757
C -0.062504 0.340860 1.645903
C -0.978845 2.703745 -0.721927
C 1.379824 2.506622 -0.591715
C -2.549068 0.634573 1.247693
C 2.449785 0.120593 1.359097
C -3.280334 -0.400045 0.396914
C 3.089210 -0.922608 0.447796
C -4.213383 0.007001 -0.588721
C 2.625429 -2.263485 0.455825
C -3.016762 -1.783519 0.571418
C 4.138056 -0.559613 -0.433089
C -4.878552 -0.953532 -1.386583
C 3.204960 -3.226143 -0.399148
C -3.679482 -2.743321 -0.223998
C 4.720806 -1.522850 -1.289740
C -4.612895 -2.329944 -1.205366
C 4.255392 -2.857426 -1.274219
H -1.206463 0.612097 -1.276890
H 1.274164 0.432717 -1.235715
H -3.055409 1.614979 1.181730
H -2.520207 0.331296 2.309992
H 2.292034 -0.275400 2.378972
H 3.099269 1.012842 1.434394
H -4.420683 1.075527 -0.727433
H 1.816295 -2.548995 1.139624
H -2.299015 -2.101166 1.338112
H 4.496458 0.477234 -0.446157
H -5.601197 -0.629033 -2.143518
H 2.846769 -4.261519 -0.379944
H -3.477596 -3.810117 -0.076043
H 5.533916 -1.232944 -1.964441
H -5.130634 -3.075298 -1.819416
H 4.708163 -3.605396 -1.934683


