%chk=000158113.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158113

0 1
 O  -0.4037000     -0.4013000     -0.4286000    
 O    1.022800     -0.1469000      -2.231100    
 O   -3.305900       1.393200     -0.5683000    
 C    2.612300      -1.000600      0.5919000    
 C    3.263600     -0.1306000     -0.4282000    
 C    1.847000      0.1253000     -3.9500002E-02
 C    2.308400      -2.402900      0.1838000    
 C    2.964400     -0.8639000       2.035900    
 C    4.282100      0.8514000     -9.8000001E-03
 C   0.7916000     -0.1531000      -1.030500    
 C    5.604200      0.6501000      0.1498000    
 C    6.513900       1.765000      0.5852000    
 C    6.282700     -0.6699000     -8.4600002E-02
 C   -1.491000     -0.6824000      -1.315600    
 C   -2.730300     -0.9327000     -0.5075000    
 C   -3.577700      0.1182000     -0.1722000    
 C   -3.018100      -2.230900     -9.8600000E-02
 C   -4.725200     -0.1316000      0.5804000    
 C   -4.165700      -2.480800      0.6539000    
 C   -5.019300      -1.431200      0.9934000    
 C   -3.133700       2.367800      0.4585000    
 C   -4.195200       3.446900      0.3080000    
 C   -1.727200       2.940900      0.3740000    
 H    3.454500     -0.5516000      -1.410500    
 H    1.639400      0.9919000      0.5825000    
 H    2.158200      -2.515200     -0.8956000    
 H    3.132900      -3.068700      0.4623000    
 H    1.402500      -2.761400      0.6847000    
 H    2.187400      -1.317300       2.661600    
 H    3.063600      0.1781000       2.359200    
 H    3.909000      -1.374500       2.252600    
 H    3.904500       1.856000      0.1764000    
 H    5.974700       2.704800      0.7442000    
 H    7.281400       1.946500     -0.1744000    
 H    7.010000       1.503600       1.525600    
 H    5.589600      -1.455000     -0.4003000    
 H    6.770300      -1.011300      0.8344000    
 H    7.044800     -0.5694000     -0.8644000    
 H   -1.250500      -1.567200      -1.918900    
 H   -1.636100      0.1562000      -2.007500    
 H   -2.359500      -3.056400     -0.3543000    
 H   -5.408200      0.6699000      0.8457000    
 H   -4.394600      -3.492600      0.9756000    
 H   -5.914000      -1.626200       1.577300    
 H   -3.240700       1.919700       1.455800    
 H   -4.124900       3.927100     -0.6744000    
 H   -5.200700       3.019700      0.3755000    
 H   -4.092800       4.215700       1.079900    
 H   -1.537100       3.367300     -0.6171000    
 H  -0.9824000       2.153600      0.5262000    
 H   -1.566700       3.717800       1.127600    


%chk=000158113-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158113

0 1
O -0.635919 -1.922458 0.226238
O 0.552284 -1.303723 -1.698942
O -1.723625 0.844335 -0.294000
C 3.080383 -2.049878 0.124210
C 2.860004 -0.524675 0.124986
C 1.671031 -1.480374 0.476105
C 3.305928 -2.731230 -1.224015
C 3.838706 -2.705967 1.277860
C 3.407920 0.391336 1.158023
C 0.524737 -1.545907 -0.464383
C 3.867627 1.664802 0.966541
C 4.401966 2.479461 2.133523
C 3.900306 2.380297 -0.372486
C -1.924836 -1.899774 -0.547319
C -2.953878 -1.122733 0.232230
C -2.843746 0.297188 0.339533
C -4.041126 -1.767741 0.859843
C -3.813514 1.037963 1.058871
C -5.015724 -1.038187 1.580115
C -4.892619 0.364597 1.676439
C -1.516808 2.321182 -0.319948
C -2.435555 2.964077 -1.374194
C -0.027190 2.498252 -0.632152
H 2.758366 -0.108486 -0.884096
H 1.383190 -1.550104 1.528830
H 2.706397 -2.264714 -2.022996
H 4.375246 -2.668560 -1.501651
H 3.031775 -3.802424 -1.171948
H 3.577126 -3.778468 1.345163
H 3.613243 -2.244670 2.254880
H 4.930225 -2.630738 1.112329
H 3.442005 -0.006978 2.183280
H 4.356613 1.918391 3.083245
H 3.825524 3.417954 2.261364
H 5.455601 2.778539 1.961575
H 3.515242 1.769172 -1.204089
H 4.935881 2.683536 -0.625398
H 3.301371 3.312380 -0.331155
H -2.229597 -2.953441 -0.666984
H -1.708350 -1.451525 -1.532987
H -4.121842 -2.859028 0.783394
H -3.741667 2.125880 1.145106
H -5.853559 -1.556071 2.057758
H -5.637668 0.945271 2.232192
H -1.738317 2.723122 0.690668
H -2.189609 2.570345 -2.375979
H -3.500793 2.756898 -1.173035
H -2.293146 4.060386 -1.385890
H 0.217029 2.013269 -1.593511
H 0.595892 2.037295 0.153272
H 0.222068 3.573024 -0.700414


