%chk=000226312.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226312

0 1
 O    4.208100      0.7481000      -1.495900    
 O    2.093300       2.366600      -1.790100    
 O    4.915600     -0.3727000      0.9620000    
 O  -0.2901000       1.727100     -0.2320000    
 O    3.326600      -1.968500     -0.9147000    
 O   0.3490000       3.566200       1.791100    
 N    1.931300      -1.980800      0.9389000    
 C   -2.344500      -1.824900     -0.3954000    
 C    3.429000       1.013800     -0.3220000    
 C   -1.089800      -2.031000      0.4561000    
 C    2.001200       1.336700     -0.7948000    
 C   -3.364200     -0.9405000      0.3262000    
 C  -3.5300002E-02  -2.917500     -0.2167000    
 C    3.543400     -0.1626000      0.6576000    
 C   -4.633700     -0.7589000     -0.5093000    
 C    1.037700       1.817000      0.3005000    
 C    1.210500      -3.183100      0.6233000    
 C   -5.638000      0.1518000      0.2003000    
 C    2.940200      -1.464400      0.1388000    
 C   -6.937500      0.3481000     -0.5832000    
 C    1.275400       3.256000      0.7537000    
 C   -7.928300       1.273700      0.1057000    
 H    3.884700       1.906200      0.1231000    
 H   -2.795300      -2.798300     -0.6228000    
 H   -2.067000      -1.364500      -1.351200    
 H    1.581400      0.4667000      -1.314400    
 H  -0.6504000      -1.053300      0.6864000    
 H   -1.374100      -2.483100       1.414500    
 H   -2.916500      3.9000001E-02  0.5342000    
 H   -3.623200      -1.389700       1.292600    
 H   0.2612000      -2.452900      -1.165700    
 H  -0.4930000      -3.882100     -0.4684000    
 H    3.056000      0.1202000       1.596900    
 H   -5.093900      -1.736400     -0.6977000    
 H   -4.376300     -0.3284000      -1.484500    
 H    1.056400       1.138400       1.159100    
 H   0.9349000      -3.656700       1.571400    
 H    1.875900      -3.868100      8.6400002E-02
 H   -5.175000       1.130700      0.3772000    
 H   -5.875600     -0.2682000       1.185600    
 H    1.670300      -1.488200       1.787700    
 H   -6.705300      0.7552000      -1.574600    
 H   -7.415000     -0.6259000     -0.7439000    
 H    1.098100       3.968600     -5.7700001E-02
 H    2.287800       3.388900       1.145200    
 H    5.111400      0.5383000      -1.202700    
 H    1.194300       2.526800      -2.125100    
 H    4.958500      -1.022600       1.684200    
 H   -8.212700      0.8798000       1.086500    
 H   -7.497800       2.270000      0.2472000    
 H   -8.835800       1.376400     -0.4973000    
 H  -0.9030000       2.017700      0.4650000    
 H   0.5227000       4.483700       2.062700    


%chk=000226312-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226312

0 1
O 2.792293 0.395208 -1.997353
O 1.300897 2.674848 -1.036026
O 5.062734 -0.189785 -0.379844
O 0.200330 2.399638 1.479266
O 3.753834 -2.419616 -0.215526
O 2.066476 3.606251 2.923797
N 1.873919 -1.578524 0.873829
C -2.487680 -1.910202 -0.388053
C 3.003804 1.004739 -0.686650
C -1.226106 -1.873735 0.503870
C 1.639571 1.514653 -0.206366
C -3.596658 -0.943604 0.085304
C -0.125928 -2.850463 0.027383
C 3.741511 -0.024995 0.221252
C -4.853208 -0.971165 -0.813753
C 1.587985 1.953192 1.278965
C 1.139418 -2.861553 0.914941
C -5.967553 -0.011840 -0.337662
C 3.093880 -1.441378 0.272303
C -7.222044 -0.035058 -1.240640
C 2.547096 3.107328 1.616632
C -8.332716 0.921038 -0.754027
H 3.690341 1.874599 -0.771817
H -2.888370 -2.945309 -0.413428
H -2.203314 -1.660495 -1.431127
H 0.879414 0.718806 -0.356194
H -0.838736 -0.832465 0.518744
H -1.508771 -2.118565 1.549725
H -3.191662 0.089229 0.119235
H -3.885509 -1.198354 1.126712
H 0.168368 -2.611355 -1.012902
H -0.538094 -3.879829 0.015286
H 3.856718 0.362656 1.254478
H -5.254066 -2.005903 -0.853494
H -4.565071 -0.709731 -1.853466
H 1.800964 1.108007 1.970298
H 0.865439 -3.082369 1.965608
H 1.847511 -3.634938 0.573580
H -5.567575 1.022945 -0.294654
H -6.260192 -0.274694 0.700731
H 1.398680 -0.748945 1.231986
H -6.929381 0.232450 -2.276551
H -7.617938 -1.070267 -1.287554
H 2.475004 3.889010 0.836086
H 3.591699 2.747102 1.695676
H 3.685527 0.093394 -2.312067
H 0.424600 3.000863 -0.695932
H 5.166314 -1.183544 -0.514228
H -8.665319 0.654216 0.267109
H -7.970520 1.966220 -0.725164
H -9.217023 0.888073 -1.416907
H 0.215206 2.986403 2.284923
H 2.527498 4.446214 3.163668


