%chk=000122158.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122158

0 1
 O   -1.260200      0.7297000     -8.2300000E-02
 O   0.5641000     -0.4822000      0.7083000    
 O   -3.922900      -2.046900       1.369800    
 O   -4.789700     -0.1442000     -0.6066000    
 O    3.284100     -0.1747000       1.457800    
 O   -1.921100       2.808600      -1.744800    
 O    2.698800      -2.398400      0.3415000    
 O    3.529500      -2.898600      -2.227700    
 O   0.7657000       3.619200     -1.1600000E-02
 N   -1.113700      -2.802200       1.042500    
 N    3.225100       2.687600       1.627600    
 C   -1.630000      -1.433000      0.9550000    
 C   -3.058000      -1.456100      0.3983000    
 C  -0.7102000     -0.5790000      7.4199997E-02
 C   -3.552800     -3.9099999E-02  9.3500003E-02
 C   -2.524600      0.7225000     -0.7486000    
 C    1.608900     -0.3081000     -0.2589000    
 C    2.689300      0.5807000      0.3913000    
 C   -2.925300       2.177500     -0.9712000    
 C    2.083800      -1.690900     -0.7363000    
 C    2.182700       1.919700      0.9541000    
 C    3.113600      -1.586800      -1.860800    
 C    1.662700       2.794800     -0.1651000    
 H   -1.643200      -1.024900       1.973900    
 H   -3.114600      -2.074600     -0.5074000    
 H  -0.6208000      -1.042700     -0.9183000    
 H   -3.743700      0.4951000       1.033100    
 H   -2.400000      0.2515000      -1.733100    
 H    1.215300      0.2435000      -1.124000    
 H    3.482800      0.7830000     -0.3386000    
 H   -2.997400       2.712200     -1.8200001E-02
 H   -3.879300       2.252800      -1.501700    
 H    1.240000      -2.308700      -1.060700    
 H   -1.074000      -3.216700      0.1120000    
 H   -1.762700      -3.376700       1.579100    
 H    1.372900       1.753200       1.672700    
 H   -4.792000      -2.172300      0.9534000    
 H   -5.450200     -0.5007000      1.1000000E-02
 H    4.011100      -1.051900      -1.537300    
 H    2.689400      -1.091000      -2.739300    
 H    3.822600     -0.8775000       1.056800    
 H    2.988100      -3.261200     -1.6000000E-03
 H   -2.193300       3.733700      -1.869100    
 H    4.012900       2.827700      0.9951000    
 H    3.593700       2.142000       2.406200    
 H    2.193200       2.721900      -1.130700    
 H    4.178000      -2.801300      -2.945700    


%chk=000122158-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122158

0 1
O -1.167231 0.574421 -0.066338
O 0.561373 -0.849492 0.605425
O -4.008932 -2.095869 1.482498
O -4.886015 -0.054241 -0.277000
O 3.107301 -0.019408 1.604196
O -1.876581 2.781779 -1.867857
O 3.303571 -2.169411 0.098776
O 3.785465 -2.737598 -2.442448
O 0.844369 3.063986 -1.212902
N -1.316126 -3.018150 1.043001
N 2.694354 2.590563 1.712710
C -1.688079 -1.596767 1.021149
C -3.127978 -1.452377 0.502968
C -0.762156 -0.838993 0.054456
C -3.523084 0.019134 0.289458
C -2.517988 0.710762 -0.663423
C 1.614233 -0.442064 -0.351026
C 2.581031 0.534616 0.366316
C -2.738342 2.218359 -0.848779
C 2.311742 -1.709212 -0.891032
C 1.873817 1.879547 0.724935
C 3.030924 -1.487120 -2.232928
C 1.853201 2.765653 -0.523579
H -1.619985 -1.084893 2.009329
H -3.211301 -1.972399 -0.477883
H -0.792830 -1.315879 -0.955402
H -3.531217 0.548233 1.266631
H -2.543577 0.213667 -1.658183
H 1.142655 0.095305 -1.200763
H 3.424376 0.745526 -0.335729
H -2.607541 2.718405 0.137337
H -3.771156 2.396806 -1.203228
H 1.543952 -2.499186 -1.022574
H -2.045536 -3.597210 1.473523
H -0.391464 -3.174556 1.457206
H 0.838296 1.653523 1.048486
H -4.939035 -1.945901 1.170369
H -5.310373 0.838545 -0.251183
H 3.720643 -0.619978 -2.175205
H 2.291021 -1.323537 -3.041572
H 3.382504 -0.960158 1.383220
H 3.885655 -2.829200 -0.364205
H -0.927135 2.796437 -1.550865
H 3.248385 1.942731 2.284915
H 2.191088 3.297249 2.253225
H 2.855976 3.203824 -0.755127
H 4.346336 -2.678973 -3.253301


