%chk=000152591.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152591

0 1
 O    4.168000       1.227500       1.096000    
 O    7.670000       1.014800      8.2199998E-02
 O    5.935900     -0.9396000     -0.8777000    
 O   -8.481100      0.4376000       1.361300    
 O   -6.953600      -1.059100      0.5992000    
 N   -1.228100      2.4100000E-02  -1.400000    
 N    2.408100     -0.8061000      0.5121000    
 C   4.8000002E-03 -0.2575000     -0.7516000    
 C   0.8897000      0.7860000     -0.4618000    
 C   0.3229000      -1.575600     -0.4092000    
 C    2.096900      0.4617000      0.1800000    
 C    1.552500      -1.807600      0.2302000    
 C    2.982000       1.496400      0.4712000    
 C   0.5962000       2.119800     -0.7952000    
 C  -0.5473000      -2.643800     -0.6888000    
 C   -2.501200      0.3413000     -0.9086000    
 C    2.693500       2.823000      0.1412000    
 C    1.498200       3.135600     -0.4933000    
 C    1.875200      -3.117900      0.5729000    
 C    5.357700       1.580600      0.3974000    
 C    6.497500      0.6604000      0.8191000    
 C  -0.2009000      -3.944800     -0.3360000    
 C    1.013100      -4.182000      0.2960000    
 C   -2.725700      0.4258000      0.4703000    
 C   -3.561100      0.5773000      -1.791600    
 C   -5.044400      0.9755000      7.3500000E-02
 C   -3.993200      0.7417000      0.9597000    
 C   -4.828500      0.8934000      -1.302200    
 C    6.176300     -0.7978000      0.5184000    
 C   -6.399800       1.312400      0.5967000    
 C   -7.273400      9.7099997E-02  0.8385000    
 H   -1.157000     -1.7300000E-02  -2.412500    
 H  -0.3273000       2.398900      -1.295600    
 H   -1.501900      -2.494300      -1.186300    
 H    3.389000       3.621900      0.3832000    
 H    1.268400       4.165000     -0.7506000    
 H    2.821100      -3.329300       1.068600    
 H    5.211100       1.541900     -0.6908000    
 H    5.622900       2.616500      0.6423000    
 H    6.708100      0.7743000       1.887500    
 H  -0.8740000      -4.768200     -0.5543000    
 H    1.293400      -5.193300      0.5752000    
 H   -1.925600      0.2482000       1.184200    
 H   -3.408200      0.5163000      -2.866400    
 H   -4.149000      0.8005000       2.033700    
 H   -5.639900       1.071300      -2.003000    
 H    5.299300      -1.146800       1.071000    
 H    7.031400      -1.433600      0.7705000    
 H   -6.306500       1.860100       1.542300    
 H   -6.919600       1.971000     -0.1095000    
 H    7.482100      0.8765000     -0.8620000    
 H    5.734000      -1.877300      -1.037600    
 H   -9.046300     -0.3488000       1.517000    


%chk=000152591-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152591

0 1
O 4.495530 0.642898 0.316618
O 8.082901 1.282264 0.968667
O 7.696814 -0.354532 -1.148977
O -7.920670 -1.338355 1.122693
O -8.247787 -0.263668 -0.910450
N -1.448987 0.555096 -1.233766
N 2.256841 -0.846941 0.440691
C -0.258173 0.078700 -0.638496
C 0.902014 0.924180 -0.664171
C -0.150975 -1.241077 -0.089390
C 2.149326 0.386792 -0.130597
C 1.135786 -1.637059 0.472511
C 3.342687 1.223492 -0.195412
C 0.873250 2.268162 -1.175445
C -1.212987 -2.211123 -0.118753
C -2.761502 0.572637 -0.696893
C 3.282838 2.510800 -0.739286
C 2.037355 3.029834 -1.213007
C 1.268026 -2.944234 1.059981
C 5.752260 1.412475 0.247645
C 6.830473 0.522683 0.891437
C -1.040343 -3.476228 0.437733
C 0.205491 -3.842353 1.052099
C -3.034644 0.312415 0.672990
C -3.841495 0.913240 -1.559025
C -5.435680 0.729339 0.302194
C -4.357964 0.384202 1.153286
C -5.155761 0.994206 -1.063037
C 7.045183 -0.781272 0.111919
C -6.865417 0.817503 0.838812
C -7.743580 -0.267911 0.234063
H -1.319175 1.128873 -2.069821
H -0.072165 2.716951 -1.497264
H -2.165083 -1.952861 -0.589439
H 4.175782 3.139561 -0.789850
H 2.005691 4.055723 -1.595886
H 2.241425 -3.194666 1.492670
H 6.006702 1.629655 -0.808733
H 5.663370 2.356627 0.818012
H 6.537832 0.290323 1.928826
H -1.859351 -4.202877 0.401238
H 0.318407 -4.837027 1.497272
H -2.218171 0.068050 1.358377
H -3.646501 1.107170 -2.621199
H -4.550423 0.176851 2.212557
H -5.976573 1.247192 -1.743783
H 6.072177 -1.271266 -0.078191
H 7.715165 -1.452841 0.684139
H -6.872473 0.718961 1.935314
H -7.316252 1.788609 0.565788
H 8.522855 1.172190 0.081708
H 7.924294 -1.140731 -1.700672
H -8.462645 -2.046934 0.679102


