%chk=000177965.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177965

0 1
 O   -1.863600       3.034900      0.6857000    
 O   -4.444900       2.033900      0.4851000    
 O    1.256200      -3.844200      -1.543500    
 O   -1.947800      -5.388500      0.8754000    
 O    3.899800      0.2205000      -1.941300    
 O    4.854000       2.579100     -0.3775000    
 N    3.956300     -4.8000000E-02  0.3798000    
 C  -8.5000001E-02  -1.420900      0.1139000    
 C   -1.173000     -0.5379000      0.2090000    
 C  -0.2917000      -2.786900     -7.9599999E-02
 C   -2.489200      -1.047900      0.1064000    
 C   -1.586000      -3.288400     -0.1806000    
 C    1.308300     -0.9420000      0.2136000    
 C   -2.678600      -2.425700     -8.8299997E-02
 C  -0.9836000      0.8400000      0.4039000    
 C   -3.577300     -0.1651000      0.2016000    
 C   0.8656000      -3.733900     -0.1828000    
 C   -2.076200       1.702600      0.4962000    
 C   -3.370500       1.201000      0.3953000    
 C   -1.836500      -4.746800     -0.3881000    
 C    1.944500     -0.5843000     -0.9166000    
 C    2.012300     -0.8569000       1.478400    
 C    3.359000     -9.7900003E-02 -0.8833000    
 C    3.277000     -0.4252000       1.523000    
 C    5.332500      0.4097000      0.5296000    
 C    5.400200       1.909700      0.7515000    
 C   -1.108300       3.718800     -0.3122000    
 C   -5.320700       2.085500     -0.6394000    
 C   -1.578200       5.155900     -0.3878000    
 C   -5.954800       3.458400     -0.7079000    
 C    4.900000       3.990600     -0.2193000    
 H   -3.688400      -2.825500     -0.1656000    
 H   1.1600000E-02   1.267200      0.4990000    
 H   -4.592500     -0.5515000      0.1328000    
 H   0.6331000      -4.729600      0.2074000    
 H    1.731600      -3.415600      0.4042000    
 H   -1.072600      -5.241300     -0.9951000    
 H   -2.782300      -4.893100     -0.9239000    
 H    1.469400     -0.6300000      -1.891900    
 H    1.495900      -1.147300       2.387100    
 H    3.811400     -0.3539000       2.463800    
 H    5.875800      0.1569000     -0.3889000    
 H    5.815200     -0.1278000       1.354100    
 H    4.838100       2.189800       1.650200    
 H    6.445700       2.210900      0.8831000    
 H    2.006900      -4.461200      -1.576700    
 H   -1.234000       3.246700      -1.294600    
 H  -4.8000000E-02   3.687800     -3.8699999E-02
 H   -2.134100      -6.327300      0.7031000    
 H   -6.097700       1.322600     -0.5209000    
 H   -4.775100       1.893700      -1.571700    
 H   -2.641400       5.200200     -0.6460000    
 H   -1.465800       5.650200      0.5828000    
 H   -1.009600       5.714500      -1.136400    
 H   -6.503900       3.676200      0.2141000    
 H   -5.187100       4.232300     -0.8112000    
 H   -6.643700       3.529400      -1.554200    
 H    4.309800       4.298600      0.6493000    
 H    5.934300       4.331600     -0.1133000    
 H    4.470700       4.451000      -1.113200    


%chk=000177965-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177965

0 1
O -1.886171 3.202022 -0.088801
O -4.365410 2.314550 -0.186110
O 1.128534 -4.189392 -1.545695
O -1.819823 -5.473443 0.820037
O 4.565725 -0.906254 -1.653616
O 4.819921 2.732239 -0.402539
N 3.942542 0.025045 0.425799
C -0.089143 -1.466749 -0.063326
C -1.174208 -0.511060 -0.095376
C -0.354635 -2.848878 -0.175601
C -2.531289 -0.989983 -0.202839
C -1.712200 -3.312906 -0.309760
C 1.317293 -0.967123 0.087943
C -2.763503 -2.394643 -0.308740
C -0.954588 0.907354 -0.063493
C -3.613744 -0.049841 -0.227585
C 0.761741 -3.869373 -0.133490
C -2.017588 1.812021 -0.102783
C -3.381149 1.325237 -0.170460
C -2.004790 -4.785398 -0.489357
C 2.273353 -1.168693 -0.904683
C 1.701599 -0.264137 1.290087
C 3.649688 -0.706027 -0.792663
C 2.997591 0.203136 1.417629
C 5.312551 0.573493 0.579610
C 5.354049 2.090136 0.792895
C -0.515618 3.753102 -0.055205
C -5.771354 1.871283 -0.272331
C -0.654891 5.272622 -0.061324
C -6.629215 3.133381 -0.269501
C 4.842089 4.190031 -0.309813
H -3.796326 -2.755081 -0.397663
H 0.072790 1.275418 -0.032840
H -4.633750 -0.439421 -0.300207
H 0.413101 -4.784809 0.381041
H 1.641223 -3.463877 0.400900
H -1.316524 -5.218497 -1.243606
H -3.049466 -4.915603 -0.837685
H 2.023366 -1.716883 -1.817071
H 0.988310 -0.119780 2.104690
H 3.331401 0.727641 2.318502
H 5.842341 0.309068 -0.351651
H 5.818973 0.073743 1.428205
H 4.770106 2.399784 1.691426
H 6.414077 2.387643 0.963740
H 1.931766 -4.771721 -1.534496
H 0.047375 3.392810 -0.940436
H 0.001436 3.395728 0.859393
H -1.953051 -6.446849 0.681078
H -6.004850 1.219574 0.595080
H -5.914772 1.285395 -1.203806
H -1.182003 5.610153 -0.969695
H -1.226868 5.615247 0.817710
H 0.344430 5.744867 -0.038750
H -6.465582 3.711491 0.655648
H -6.375354 3.776562 -1.128991
H -7.699587 2.865247 -0.333374
H 4.224312 4.556280 0.539221
H 5.876905 4.576774 -0.189767
H 4.421961 4.562948 -1.256605


