%chk=000116569.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116569

0 1
 O   -1.164700      -1.601800     -8.6700000E-02
 O    4.475900      -3.987500     -0.7532000    
 O    5.993200       3.405000      0.5329000    
 O    6.034100       2.345500      -1.480800    
 N    3.348300     -0.5830000      0.1046000    
 N  -0.1264000     -0.1064000       1.356600    
 C   -4.937000      0.4339000      0.4355000    
 C   -6.135500     -0.1051000     -0.3491000    
 C   -3.681400     -0.3993000      0.1753000    
 C    2.002700     -2.5599999E-02  0.1505000    
 C   -7.380900      0.7532000     -0.1165000    
 C   -2.477500      0.1579000      0.9315000    
 C    1.203200     -0.6658000       1.275800    
 C    4.262300      0.3302000     -0.5845000    
 C    3.343800      -1.889700     -0.5562000    
 C   -8.604300      0.2707000     -0.8988000    
 C   -1.207100     -0.6285000      0.6608000    
 C    4.707200       1.445600      0.3567000    
 C    4.529800      -2.725300     -0.1015000    
 C   -9.825400       1.160900     -0.7263000    
 C    5.639800       2.415100     -0.3265000    
 H   -5.166500      0.4297000       1.507900    
 H   -4.750300       1.476000      0.1486000    
 H   -6.340600      -1.139300     -4.7600001E-02
 H   -5.898200     -0.1205000      -1.419700    
 H   -3.465600     -0.4134000     -0.9003000    
 H   -3.857900      -1.439600      0.4757000    
 H    1.487000     -0.1441000     -0.8126000    
 H    2.014400       1.053800      0.3424000    
 H   -7.621000      0.7646000      0.9539000    
 H   -7.161600       1.789600     -0.4023000    
 H   -2.301300       1.200100      0.6392000    
 H   -2.671300      0.1379000       2.010600    
 H    1.106600      -1.749100       1.157800    
 H    1.684200     -0.4773000       2.242500    
 H    3.805200      0.7416000      -1.494900    
 H    5.169200     -0.1888000     -0.9178000    
 H    2.443000      -2.469600     -0.3227000    
 H    3.334100      -1.794200      -1.650900    
 H   -8.858400     -0.7479000     -0.5824000    
 H   -8.355900      0.2191000      -1.965500    
 H  -0.2620000      0.7104000       1.945300    
 H    3.855300       2.026500      0.7237000    
 H    5.236500       1.016900       1.216100    
 H    4.494900      -2.895800      0.9800000    
 H    5.488400      -2.262400     -0.3519000    
 H   -9.618600       2.178500      -1.072500    
 H   -10.66750      0.7683000      -1.304600    
 H   -10.12630       1.210200      0.3249000    
 H    5.235900      -4.505000     -0.4366000    
 H    6.600400       4.052500      0.1152000    


%chk=000116569-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116569

0 1
O -1.053772 -1.754105 0.728779
O 4.209515 -4.094155 -0.570422
O 6.118010 3.437046 0.057955
O 6.506515 1.914550 -1.650888
N 3.223692 -0.515018 -0.125896
N -0.092530 0.163328 1.619220
C -4.979440 0.283137 0.704056
C -5.958502 0.146866 -0.483851
C -3.540476 -0.153543 0.353092
C 1.886101 0.090728 0.066242
C -7.405480 0.562013 -0.134007
C -2.561528 0.014560 1.538601
C 1.286032 -0.317829 1.436107
C 4.188367 0.335173 -0.860323
C 3.181469 -1.920778 -0.607020
C -8.381996 0.440977 -1.326259
C -1.189506 -0.603702 1.249983
C 4.757370 1.448952 0.042248
C 4.262241 -2.771395 0.074458
C -9.825916 0.853577 -0.966732
C 5.859614 2.239750 -0.630938
H -5.348857 -0.327889 1.554616
H -4.977285 1.336738 1.055728
H -5.954243 -0.903491 -0.842180
H -5.594892 0.765053 -1.331347
H -3.173988 0.431867 -0.514424
H -3.527327 -1.215529 0.043828
H 1.170123 -0.204531 -0.734673
H 1.979686 1.192557 0.025500
H -7.774663 -0.064240 0.705236
H -7.409056 1.609234 0.235481
H -2.468654 1.083860 1.815580
H -2.980202 -0.510537 2.421302
H 1.258350 -1.419175 1.505147
H 1.927612 0.065293 2.249738
H 3.743995 0.786588 -1.779650
H 5.026462 -0.295623 -1.204245
H 2.193022 -2.357391 -0.379425
H 3.316315 -1.991339 -1.710031
H -8.375680 -0.604303 -1.696980
H -8.013866 1.069135 -2.163148
H -0.248074 1.094469 2.007183
H 3.975674 2.152507 0.380588
H 5.171894 0.988304 0.960608
H 4.050297 -2.836038 1.161887
H 5.262094 -2.305223 -0.062328
H -9.862579 1.903082 -0.617694
H -10.503068 0.762687 -1.836005
H -10.229357 0.217496 -0.156165
H 4.838895 -4.708963 -0.117826
H 6.869793 3.913973 -0.389108


