%chk=000131164.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131164

0 1
 O    3.354800       1.511200     -4.0199999E-02
 O    3.238100      -4.210500     -0.1753000    
 O   -1.641300       1.620300      0.7069000    
 O   -8.687400     -0.9841000     -0.7418000    
 N    4.111200     -0.6513000      0.3156000    
 N   -6.901800      0.4597000     -0.6842000    
 C    5.499600     -0.3725000      3.8199998E-02
 C    6.052100      0.6468000       1.037400    
 C    5.678100      0.1082000      -1.404300    
 C    7.506000       1.000400      0.7348000    
 C    7.132900      0.4609000      -1.703200    
 C    7.682200       1.475700     -0.7046000    
 C    3.812600      -2.037700      0.6658000    
 C    3.121600      0.3360000      0.2536000    
 C    1.703000     -0.1150000      0.5833000    
 C    3.486100      -2.865500     -0.5638000    
 C   0.6636000       1.002300      0.5002000    
 C  -0.7466000      0.5216000      0.8230000    
 C   -4.819900     -0.1914000      0.3903000    
 C   -5.482000      -1.450400      0.8713000    
 C   -5.567500      0.7411000     -0.3399000    
 C   -2.935200       1.329600      0.3613000    
 C   -6.565500      -1.898000     -9.8399997E-02
 C   -3.501400      0.1131000      0.7447000    
 C   -5.007500       1.967000     -0.7070000    
 C   -7.498300     -0.7732000     -0.5028000    
 C   -3.687700       2.255600     -0.3610000    
 H    6.081700      -1.297300      0.1479000    
 H    5.473700       1.576500       1.038000    
 H    5.981400      0.2439000       2.055500    
 H    5.066600      0.9907000      -1.619700    
 H    5.344300     -0.6697000      -2.101700    
 H    7.848400       1.779400       1.425400    
 H    8.138300      0.1209000      0.9081000    
 H    7.743000     -0.4503000      -1.670300    
 H    7.214400      0.8621000      -2.719800    
 H    8.744400       1.654200     -0.9067000    
 H    7.165600       2.434200     -0.8376000    
 H    2.982700      -2.099300       1.374800    
 H    4.660700      -2.472900       1.209500    
 H    1.412200     -0.9154000     -0.1022000    
 H    1.692100     -0.5005000       1.608500    
 H    4.327200      -2.864800      -1.265000    
 H    2.606600      -2.488300      -1.092200    
 H   0.6723000       1.447900     -0.5030000    
 H   0.9333000       1.819700       1.181300    
 H  -0.9981000     -0.2815000      0.1180000    
 H  -0.7834000      0.1332000       1.847300    
 H    3.042600      -4.710200     -0.9862000    
 H   -4.746400      -2.255000      0.9847000    
 H   -5.919800      -1.253500       1.857600    
 H   -7.154900      -2.703300      0.3534000    
 H   -6.113600      -2.288900      -1.018700    
 H   -2.954500     -0.6040000       1.350900    
 H   -7.456300       1.210600      -1.085800    
 H   -5.584900       2.698600      -1.266000    
 H   -3.251200       3.206700     -0.6537000    


%chk=000131164-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131164

0 1
O 3.363631 1.429921 -0.218064
O 3.763443 -4.387680 -0.147374
O -1.665738 1.327235 -0.347908
O -9.235186 -0.467627 0.254276
N 4.184576 -0.697736 0.266371
N -7.277430 0.760714 0.027917
C 5.614074 -0.263092 0.115933
C 6.026451 0.783730 1.183300
C 5.952616 0.224513 -1.316833
C 7.529874 1.130849 1.056398
C 7.457703 0.569455 -1.430335
C 7.877859 1.616507 -0.370914
C 3.959940 -2.119678 0.598251
C 3.146883 0.210806 0.076948
C 1.705622 -0.312048 0.252546
C 4.011100 -3.027727 -0.645404
C 0.668002 0.750350 -0.161139
C -0.757012 0.255249 0.093009
C -5.043504 -0.185623 0.382189
C -5.732897 -1.400310 0.984961
C -5.861053 0.884498 -0.065995
C -3.047627 1.112648 -0.220061
C -7.080532 -1.680462 0.278827
C -3.638948 -0.069550 0.292690
C -5.269342 2.066061 -0.576925
C -7.970697 -0.438042 0.201773
C -3.870480 2.183322 -0.649046
H 6.215190 -1.179036 0.301105
H 5.414894 1.692191 1.041204
H 5.806538 0.386485 2.193662
H 5.341803 1.115902 -1.543263
H 5.681623 -0.560375 -2.051100
H 7.795213 1.905419 1.801393
H 8.142349 0.235491 1.295448
H 8.064568 -0.350797 -1.291648
H 7.676275 0.944521 -2.448721
H 8.962458 1.825152 -0.449920
H 7.348690 2.570190 -0.571277
H 2.989167 -2.261972 1.097709
H 4.735994 -2.455156 1.309882
H 1.558896 -1.239185 -0.337269
H 1.551016 -0.592932 1.315905
H 5.004900 -2.951156 -1.134633
H 3.233306 -2.715837 -1.374887
H 0.787627 1.000502 -1.229879
H 0.846304 1.684659 0.397187
H -0.971046 -0.672483 -0.480876
H -0.922323 0.048010 1.172499
H 3.828551 -5.036235 -0.891671
H -5.080818 -2.290308 0.927965
H -5.924287 -1.214656 2.062643
H -7.656621 -2.468611 0.790212
H -6.899096 -2.023084 -0.759957
H -3.020561 -0.904685 0.637174
H -7.856931 1.595642 -0.097630
H -5.901378 2.892327 -0.923864
H -3.395428 3.087333 -1.040585


