%chk=000131941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131941

0 1
 O    1.095100      -1.092400     -0.8944000    
 O  -0.2760000      0.4924000      0.1224000    
 O    4.488700      0.6591000      0.6958000    
 O    3.452800      -1.905400      0.4783000    
 O   -2.949800      0.8917000      0.9857000    
 O    1.450700      -2.990900      -3.132600    
 O   -1.756300       2.978200      8.6599998E-02
 O   -2.144600       3.887800      -2.695800    
 O   0.6391000       2.125400       2.455800    
 O   -4.751900      -2.030500     -0.4751000    
 O   -1.058600      -3.734100      0.9147000    
 N    2.010400       2.185600      0.5760000    
 N   -1.772600      -1.570100       1.392400    
 C    2.098400      0.7575000      0.3508000    
 C    3.459900      0.3992000     -0.2559000    
 C   0.9581000      0.2902000     -0.5656000    
 C    3.508400      -1.070200     -0.6801000    
 C    2.314400      -1.390100      -1.583400    
 C   -1.343500      0.7509000     -0.8001000    
 C   -2.625800      0.1439000     -0.1950000    
 C    2.265600      -2.860700      -1.981400    
 C   -1.398100       2.259300      -1.094700    
 C   -2.528800      -1.339000      0.1871000    
 C   -2.433500       2.597300      -2.166600    
 C    1.285000       2.743200       1.613400    
 C   -3.900100      -1.949700      0.4066000    
 C    1.383200       4.245100       1.632200    
 C   -1.099500      -2.753700       1.653200    
 C  -0.3707000      -2.720100       2.969700    
 H    1.999800      0.2687000       1.329400    
 H    3.653400       1.035000      -1.129500    
 H   0.9855000      0.8759000      -1.494800    
 H    4.459000      -1.278500      -1.184300    
 H    2.354600     -0.7727000      -2.490900    
 H   -1.151600      0.2079000      -1.736500    
 H   -3.447700      0.2921000     -0.9051000    
 H    2.460200       2.803000     -9.4300002E-02
 H    3.262300      -3.231100      -2.240700    
 H    1.836900      -3.482300      -1.188500    
 H  -0.4108000       2.629700      -1.390700    
 H   -2.069900      -1.909100     -0.6299000    
 H    5.336100      0.4201000      0.2831000    
 H    3.663000      -2.813000      0.2011000    
 H   -3.448600       2.620200      -1.757700    
 H   -2.386400       1.886400      -2.997200    
 H   -3.802500      0.5634000       1.317800    
 H   -1.774700     -0.8413000       2.100600    
 H    1.437000      -3.933800      -3.369800    
 H   -1.766200       3.924200     -0.1388000    
 H   -4.129400      -2.303800       1.427100    
 H    1.086200       4.651600      0.6612000    
 H   0.7179000       4.648700       2.400400    
 H    2.411200       4.543900       1.855000    
 H   -2.814800       4.073400      -3.375400    
 H   -1.047300      -2.401500       3.767800    
 H   8.1000002E-03  -3.717800       3.207500    
 H   0.4694000      -2.022900       2.903000    


%chk=000131941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131941

0 1
O 0.916602 -0.904427 -1.273723
O -0.208001 0.842552 -0.206508
O 4.412392 -0.106381 0.983653
O 2.923116 -2.394483 0.438710
O -3.477167 0.459427 0.137976
O 1.160969 -2.711116 -3.596904
O -1.935373 3.004339 -0.105944
O -3.240937 3.899319 -2.398818
O 1.402090 1.626534 2.907916
O -4.140276 -2.369423 -0.329416
O 0.382492 -2.362253 1.402118
N 2.286343 1.967602 0.781120
N -1.584263 -1.145792 1.404808
C 2.114798 0.586266 0.338874
C 3.456647 -0.054179 -0.115213
C 1.050031 0.482886 -0.782168
C 3.231347 -1.489412 -0.666940
C 2.174567 -1.483878 -1.788611
C -1.343599 0.853826 -1.155747
C -2.444126 -0.153730 -0.723122
C 1.845967 -2.879564 -2.305293
C -1.776179 2.318723 -1.383782
C -1.887334 -1.412023 -0.012789
C -3.060303 2.440876 -2.219579
C 1.900168 2.403710 2.038421
C -2.941182 -2.525947 0.024102
C 2.087291 3.892593 2.300688
C -0.434038 -1.591686 2.018080
C -0.192568 -1.096127 3.428280
H 1.731427 0.025976 1.209165
H 3.934201 0.572766 -0.895008
H 1.313963 1.129727 -1.658011
H 4.194983 -1.851118 -1.071014
H 2.548780 -0.868892 -2.638779
H -0.975246 0.466638 -2.129020
H -2.936986 -0.504176 -1.656177
H 2.738038 2.631469 0.150299
H 2.791615 -3.447977 -2.426117
H 1.209330 -3.402354 -1.564814
H -0.958072 2.812237 -1.959892
H -0.956794 -1.770196 -0.494226
H 4.176361 -0.927856 1.500282
H 1.957842 -2.343689 0.745270
H -3.904771 2.007060 -1.652611
H -2.946443 1.938897 -3.203296
H -4.252696 -0.166392 0.099380
H -2.165547 -0.422739 1.843898
H 0.880738 -3.597860 -3.935272
H -2.417410 3.849106 -0.314259
H -2.588979 -3.489513 0.461632
H 1.097124 4.382028 2.276509
H 2.505971 4.031147 3.310439
H 2.743800 4.389464 1.565103
H -4.160764 4.086829 -2.708800
H -1.133339 -0.875992 3.961978
H 0.378696 -1.853300 3.987614
H 0.405404 -0.163225 3.385439


