%chk=000149799.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149799

0 1
 O   -3.420600       1.940900      3.1000001E-03
 O   -3.380500      -1.598700     -7.1000000E-03
 N   -2.821900      0.6635000     -1.1000000E-03
 C    1.330800      0.1449000      6.9999998E-04
 C   -1.409900      0.4873000     -6.9999998E-04
 C    2.766700     -3.5000000E-02  3.0000001E-04
 C   0.5087000     -0.8087000      0.6005000    
 C   0.7690000       1.271600     -0.5999000    
 C  -0.8754000     -0.6360000      0.5997000    
 C  -0.6151000       1.444600     -0.6006000    
 C   -3.702100     -0.4104000     -5.5000000E-03
 C   -5.180000     -2.0900000E-02 -5.1000002E-03
 C    3.533200      0.4728000       1.049200    
 C    3.384000     -0.7168000      -1.048400    
 C    4.917300      0.2991000       1.049300    
 C    4.767900     -0.8905000      -1.048200    
 C   -6.106800      -1.225300      1.3000000E-02
 C    5.534600     -0.3825000      6.9999998E-04
 H   0.9321000      -1.685100       1.086000    
 H    1.395600       2.024100      -1.073200    
 H   -1.460200      -1.371000       1.140000    
 H   -1.038600       2.324300      -1.076300    
 H   -5.386000      0.5756000     -0.9009000    
 H   -5.382300      0.5943000      0.8789000    
 H    3.068000       1.006500       1.874600    
 H    2.801300      -1.119200      -1.873700    
 H    5.514300      0.6946000       1.865800    
 H    5.248900      -1.421300      -1.864700    
 H   -5.937500      -1.838700      0.9042000    
 H   -7.152100     -0.9013000      1.4800000E-02
 H   -5.946800      -1.858000     -0.8663000    
 H    6.612200     -0.5178000      6.9999998E-04
 H   -3.375000       2.150300      0.9519000    


%chk=000149799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149799

0 1
O -3.355898 1.853152 0.271145
O -3.605768 -1.704008 -0.189148
N -2.889388 0.475315 0.198704
C 1.391075 0.090143 0.042288
C -1.464892 0.320411 0.122543
C 2.875490 -0.031501 0.002912
C 0.556612 -1.052803 0.176429
C 0.749448 1.353964 -0.057899
C -0.846617 -0.957695 0.219226
C -0.651677 1.476267 -0.021464
C -3.901358 -0.487584 -0.007947
C -5.337294 0.039705 0.017029
C 3.709139 0.993553 0.531540
C 3.502563 -1.175514 -0.565419
C 5.115116 0.880790 0.492194
C 4.908309 -1.291253 -0.602763
C -6.359148 -1.091167 -0.194832
C 5.723642 -0.263150 -0.074794
H 1.011645 -2.043970 0.281826
H 1.351843 2.256870 -0.207458
H -1.463429 -1.851178 0.316517
H -1.120441 2.455483 -0.144261
H -5.441551 0.823969 -0.756038
H -5.519226 0.555854 0.980335
H 3.253123 1.870619 1.004974
H 2.886023 -1.965229 -1.009579
H 5.735763 1.679979 0.913107
H 5.367627 -2.178382 -1.053262
H -6.276688 -1.856635 0.595271
H -7.385100 -0.682006 -0.185406
H -6.191645 -1.599209 -1.159419
H 6.815206 -0.352061 -0.104650
H -3.248705 2.114471 1.229998


