%chk=000090887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090887

0 1
 O    3.447800      -4.037200      0.9024000    
 O    1.419100       5.119500     -0.3418000    
 O    2.734400      -2.527400      -2.817600    
 O    3.685700       4.250900      0.5516000    
 O    3.085800      -4.514000      -1.790900    
 O    4.243700       2.208600     -0.3130000    
 N   -5.917500     -0.9142000     -7.9700001E-02
 C  -0.3472000      2.6400000E-02  0.1639000    
 C   0.6583000      -1.051000      0.3586000    
 C   9.1399997E-02   1.290100      3.8600001E-02
 C   -1.811600     -0.2209000      9.9900000E-02
 C    1.031900      -1.387900       1.642900    
 C    1.185200      -1.678100     -0.7507000    
 C  -0.8557000       2.375500     -0.1532000    
 C    1.975800      -2.398400       1.826000    
 C    1.515300       1.578000      9.5100001E-02
 C   -2.543700     -0.1869000       1.267900    
 C   -2.390200     -0.4762000      -1.125700    
 C  -0.4505000       3.649300     -0.2817000    
 C    2.129100      -2.688700     -0.5677000    
 C   -4.528200     -0.6796000     -1.8999999E-02
 C    2.524500      -3.048900      0.7206000    
 C    1.968200       2.834300     -2.8300000E-02
 C   -3.917800     -0.4191000       1.207900    
 C   -3.764400     -0.7083000      -1.185900    
 C    1.014100       3.966100     -0.2272000    
 C    2.385200      -2.770900       3.212800    
 C   -1.395200       4.793200     -0.4788000    
 C    2.689200      -3.353900      -1.736200    
 C   -6.809200     -0.2952000      0.8808000    
 C   -6.473600      -1.766400      -1.112000    
 C    3.419800       3.031200      4.0800001E-02
 H   0.6014000     -0.8779000       2.500900    
 H   0.8542000      -1.391500      -1.745700    
 H   -1.923800       2.196900     -0.1987000    
 H    2.240600      0.7869000      0.2457000    
 H   -2.078400      1.2800000E-02   2.229100    
 H   -1.805500     -0.4981000      -2.041000    
 H   -4.481400     -0.4014000       2.136400    
 H   -4.209700     -0.8959000      -2.158800    
 H    1.869500      -2.168000       3.968000    
 H    3.460800      -2.615300       3.346600    
 H    2.146300      -3.821000       3.410700    
 H   -1.294900       5.516300      0.3372000    
 H   -1.184900       5.303600      -1.424300    
 H   -2.439600       4.464700     -0.5043000    
 H   -6.794200     -0.8394000       1.831000    
 H   -7.843200     -0.2954000      0.5179000    
 H   -6.539600      0.7515000       1.061800    
 H   -5.860800      -2.661600      -1.267000    
 H   -7.475700      -2.115400     -0.8386000    
 H   -6.561400      -1.222800      -2.058600    
 H    3.781000      -4.360600      5.0700001E-02
 H    3.111300      -2.976300      -3.604300    
 H    4.649500       4.422400      0.6146000    


%chk=000090887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090887

0 1
O 3.217104 -4.322208 0.334005
O 1.621423 5.342982 -0.784083
O 3.899162 -1.235098 -2.489090
O 3.732089 4.597603 0.885315
O 4.595064 -3.235593 -1.557198
O 4.231589 2.344522 0.752299
N -5.982523 -0.988320 0.639310
C -0.359790 0.130868 0.075212
C 0.579419 -1.015832 0.114846
C 0.131151 1.457633 -0.104525
C -1.796554 -0.151405 0.218654
C 0.375188 -2.104681 1.026294
C 1.697930 -1.078401 -0.747816
C -0.704635 2.533423 -0.620518
C 1.243736 -3.203345 1.116341
C 1.494235 1.801866 0.230175
C -2.675506 0.739367 0.911738
C -2.380261 -1.347290 -0.304451
C -0.229135 3.812010 -0.829641
C 2.591868 -2.175762 -0.700043
C -4.623681 -0.720174 0.508119
C 2.371743 -3.240820 0.240116
C 2.005300 3.087910 0.092609
C -4.040082 0.468464 1.063056
C -3.746714 -1.624752 -0.180196
C 1.182381 4.172174 -0.506682
C 1.036593 -4.328007 2.105887
C -1.074315 4.901794 -1.444908
C 3.754585 -2.271625 -1.587879
C -6.863827 -0.028855 1.323293
C -6.548667 -2.230925 0.092062
C 3.401106 3.279284 0.577023
H -0.483823 -2.061192 1.705454
H 1.873621 -0.290621 -1.485325
H -1.729814 2.291325 -0.923341
H 2.145270 1.045645 0.682153
H -2.259302 1.640017 1.375606
H -1.745087 -2.053142 -0.851084
H -4.655289 1.172931 1.629141
H -4.139986 -2.541041 -0.628412
H 0.127644 -4.165025 2.708493
H 1.902035 -4.418413 2.787286
H 0.951167 -5.300698 1.588040
H -1.104004 5.788134 -0.784826
H -0.626663 5.253627 -2.392634
H -2.104572 4.556830 -1.638413
H -6.589148 0.094657 2.390021
H -7.902281 -0.391290 1.280339
H -6.830612 0.967712 0.841110
H -6.073014 -3.126638 0.537960
H -7.625336 -2.272100 0.316968
H -6.427355 -2.287530 -1.008187
H 3.973447 -4.197634 -0.346520
H 4.729470 -1.365569 -3.021009
H 4.678856 4.607614 1.197556


