%chk=000131790.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131790

0 1
 O   -3.520400      0.5504000      -2.162400    
 O   0.9847000      -1.067600      0.8555000    
 O   -1.223400       2.229100      -1.921000    
 O    4.262700      -3.055700       1.215300    
 O   -4.464300      -1.111800      0.7048000    
 O    4.537600     -0.8047000       1.446700    
 O   -5.427000      -1.434100      -1.373100    
 N    2.712300     -0.4287000     -0.5459000    
 N  -0.6011000      0.7751000     -0.2097000    
 C    3.432300      -1.695000     -0.5106000    
 C   0.8035000       1.063400     -0.1909000    
 C    4.418700      -1.612100      -1.669700    
 C    3.353700      0.5169000      -1.455900    
 C    4.695100     -0.1158000      -1.794200    
 C    1.215500       2.151300      0.8161000    
 C    1.495800     -0.2457000      9.2799999E-02
 C   -2.911300      0.9306000     -0.9217000    
 C   -3.277500     -0.4957000      -1.213000    
 C   0.4881000       2.020100       2.173000    
 C   -1.497700       1.384700      -1.076300    
 C   0.9971000       3.536200      0.1927000    
 C    4.133200      -1.768000      0.8126000    
 C   -4.508900      -1.065100     -0.6547000    
 C   0.9514000       3.034100       3.211400    
 C   -5.626900      -1.654200       1.339000    
 C   -5.423300      -1.637800       2.839000    
 H    2.722700      -2.523900     -0.6042000    
 H    1.056900       1.389600      -1.203300    
 H    5.334100      -2.190200      -1.511300    
 H    3.940400      -1.969300      -2.589800    
 H    2.734000      0.5990000      -2.355500    
 H    3.459400       1.502600     -0.9965000    
 H    5.056100      0.1691000      -2.786300    
 H    5.450500      0.1867000      -1.059200    
 H    2.292900       2.058800       1.008100    
 H   -3.519100       1.504400     -0.2326000    
 H   -2.492800      -1.201600      -1.456000    
 H  -0.9628000      0.1013000      0.4603000    
 H  -0.5945000       2.134900       2.043100    
 H   0.6568000       1.016400       2.579900    
 H    1.453500       3.599500     -0.8010000    
 H    1.459700       4.319600      0.8014000    
 H  -6.7800000E-02   3.770800      9.7400002E-02
 H    2.037800       2.998700       3.338900    
 H   0.6645000       4.053100       2.936400    
 H   0.4901000       2.814200       4.179800    
 H    4.721000      -3.124900       2.079800    
 H   -5.782300      -2.683700      0.9976000    
 H   -6.501500      -1.048400       1.077400    
 H   -6.295500      -2.046600       3.356700    
 H   -5.248400     -0.6164000       3.192900    
 H   -4.541100      -2.225100       3.114600    


%chk=000131790-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131790

0 1
O -2.635365 -1.717075 -0.308255
O 1.776167 -1.667316 0.037856
O -1.388431 1.395615 -1.986598
O 5.655076 -2.391885 0.609737
O -5.513343 -0.262813 1.291041
O 4.774962 -0.368497 1.342867
O -5.589688 -1.211824 -0.846417
N 3.208893 -0.202004 -1.038461
N -0.392136 -0.065434 -0.442198
C 4.317575 -1.173387 -0.974242
C 0.922672 0.584179 -0.435826
C 5.349154 -0.607647 -1.993022
C 3.589675 1.060766 -1.731689
C 5.121395 0.923759 -1.914396
C 1.151500 1.502047 0.826956
C 1.992641 -0.519489 -0.476400
C -2.688006 -0.461969 -1.139224
C -3.453734 -0.533431 0.158286
C 0.893618 0.742250 2.156635
C -1.426934 0.373624 -1.231042
C 0.299341 2.786009 0.708115
C 4.897375 -1.229043 0.446826
C -4.945479 -0.725038 0.108623
C 1.508060 1.447616 3.385734
C -7.006722 -0.367352 1.386229
C -7.400272 0.178778 2.753427
H 3.970598 -2.187414 -1.231133
H 0.968079 1.223351 -1.337892
H 6.381244 -0.911483 -1.756246
H 5.100253 -0.989176 -2.999368
H 3.069587 1.132796 -2.706959
H 3.324500 1.946221 -1.129201
H 5.477439 1.453524 -2.813049
H 5.643355 1.342255 -1.036036
H 2.225828 1.786546 0.815489
H -3.262611 -0.552981 -2.068630
H -3.059876 -0.032623 1.049061
H -0.466973 -0.982306 0.019249
H -0.200377 0.627313 2.297111
H 1.314288 -0.278510 2.087370
H 0.531463 3.346080 -0.216056
H 0.475561 3.455614 1.568844
H -0.777783 2.540578 0.679688
H 2.606721 1.522533 3.280694
H 1.105518 2.467774 3.525685
H 1.298365 0.878004 4.309566
H 6.029801 -2.420871 1.531501
H -7.282755 -1.428769 1.253207
H -7.443237 0.211309 0.552168
H -8.497404 0.122618 2.874080
H -7.093055 1.232796 2.862263
H -6.932023 -0.407121 3.562433


