%chk=000140775.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140775

0 1
 O   -3.043600      0.6138000      0.4333000    
 O    3.047500     -0.6063000      0.4313000    
 O   -2.255700       2.459700     -0.7106000    
 O    2.257300      -2.454900     -0.7068000    
 N   -1.133500      -1.976200     -0.2214000    
 N    1.136700       1.982600     -0.2215000    
 C  -0.5528000     -0.8066000     -0.2205000    
 C   0.5493000      0.7998000     -0.2204000    
 C  -0.8403000      0.5082000     -0.2203000    
 C   0.8434000     -0.5014000     -0.2202000    
 C   -2.224100      -2.289600      -1.146000    
 C  -0.9161000      -2.941200      0.8577000    
 C    2.219800       2.282900      -1.147200    
 C   0.9141000       2.933900      0.8581000    
 C   -2.043200       1.309000     -0.2225000    
 C    2.046000      -1.302900     -0.2215000    
 C   -1.755400      -2.131000      -2.579500    
 C   -1.337700      -2.343000       2.186100    
 C    1.744400       2.119400      -2.578100    
 C    1.335400       2.328100       2.183200    
 C   -4.332500       1.226000      0.5494000    
 C    4.336100      -1.218900      0.5477000    
 C   -5.257500      0.2898000       1.297500    
 C    5.262400     -0.2812000       1.292200    
 H   -2.575200      -3.319900      -1.015700    
 H   -3.086900      -1.642000     -0.9552000    
 H   -1.472700      -3.870100      0.6891000    
 H   0.1407000      -3.227600      0.9020000    
 H    3.082400       1.634700     -0.9582000    
 H    2.575300       3.312600      -1.024000    
 H  -0.1426000       3.220200      0.9039000    
 H    1.470200       3.864800      0.6973000    
 H   -2.545400      -2.444300      -3.269800    
 H  -0.8702000      -2.745300      -2.776700    
 H   -1.505600      -1.091900      -2.817400    
 H   -1.239600      -3.088800       2.981600    
 H   -2.382000      -2.013600       2.158300    
 H  -0.7193000      -1.483300       2.464200    
 H    2.531800       2.429600      -3.272800    
 H   0.8590000       2.733900      -2.774100    
 H    1.493100       1.079900      -2.812200    
 H    2.379700       1.998700       2.154300    
 H    1.237500       3.069800       2.982600    
 H   0.7166000       1.467500       2.457700    
 H   -4.236200       2.170900       1.094800    
 H   -4.730500       1.422800     -0.4519000    
 H    4.240000      -2.162300       1.095800    
 H    4.733000      -1.418600     -0.4535000    
 H   -6.254100      0.7269000       1.404200    
 H   -5.344400     -0.6666000      0.7715000    
 H   -4.858800      6.9100000E-02   2.293100    
 H    6.258900     -0.7184000       1.399200    
 H    5.349300      0.6739000      0.7635000    
 H    4.864800     -5.7399999E-02   2.287700    


%chk=000140775-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000140775

0 1
O -3.219231 0.492093 0.785072
O 3.218271 -0.497410 0.781781
O -2.175626 2.561797 0.537887
O 2.173738 -2.566329 0.531975
N -1.169937 -2.032531 -0.257193
N 1.168108 2.030123 -0.253004
C -0.515615 -0.886193 -0.008642
C 0.514133 0.883003 -0.006975
C -0.927429 0.532406 0.071112
C 0.926112 -0.535827 0.068875
C -2.634731 -2.068687 -0.543032
C -0.482431 -3.345268 -0.446085
C 2.632913 2.067520 -0.538275
C 0.480095 3.342975 -0.439100
C -2.082749 1.291851 0.438982
C 2.081280 -1.296218 0.435173
C -2.929714 -1.774621 -2.029252
C -0.597855 -4.246508 0.798123
C 2.928600 1.780922 -2.025726
C 0.594536 4.241635 0.807094
C -4.412849 1.260607 1.226604
C 4.412127 -1.266801 1.221049
C -5.507990 0.240822 1.535070
C 5.510526 -0.248089 1.521638
H -2.991501 -3.077766 -0.269869
H -3.139328 -1.328417 0.093140
H -0.952867 -3.827728 -1.324268
H 0.583016 -3.170702 -0.650544
H 3.137238 1.323958 0.094281
H 2.989753 3.075158 -0.259801
H -0.585254 3.168537 -0.644201
H 0.950710 3.827577 -1.315970
H -4.016251 -1.853466 -2.215926
H -2.414776 -2.484307 -2.702701
H -2.610858 -0.750398 -2.289821
H -0.151100 -5.233006 0.578906
H -1.647518 -4.404138 1.108095
H -0.034744 -3.799513 1.633466
H 4.015293 1.860535 -2.211256
H 2.414327 2.494046 -2.696038
H 2.609848 0.758039 -2.291699
H 1.643962 4.400068 1.117500
H 0.146445 5.228006 0.590035
H 0.032006 3.792121 1.641489
H -4.139748 1.859461 2.114393
H -4.706855 1.962625 0.425022
H 4.141458 -1.861740 2.112266
H 4.701349 -1.972328 0.420899
H -6.416918 0.762772 1.886863
H -5.773438 -0.343521 0.636046
H -5.183956 -0.459502 2.324629
H 6.419689 -0.770517 1.872087
H 5.773750 0.332244 0.619373
H 5.190786 0.455830 2.309754


