%chk=000041809.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041809

0 1
 O    3.533100     -0.4791000      0.8273000    
 O    3.900100     -0.6801000      -1.475900    
 N   -2.984200     -0.9565000      0.5666000    
 C   -1.195000      0.5457000     -9.4700001E-02
 C   -1.528600     -0.9418000      0.2564000    
 C   -3.407200      0.4475000      0.7390000    
 C   -2.113500       1.222800      0.9396000    
 C   -1.688300      0.9642000      -1.517500    
 C   -4.069500      0.9197000     -0.5653000    
 C   -3.177300      0.7058000      -1.791500    
 C   0.2573000      0.9897000      0.1141000    
 C   -1.217700      -1.980600     -0.8224000    
 C   -3.277400      -1.762500       1.748800    
 C   -1.613500      -3.376400     -0.3790000    
 C    1.247100      4.1900001E-02  0.3796000    
 C   0.5928000       2.342500      3.8500000E-02
 C    2.568800      0.4459000      0.5691000    
 C    1.914300       2.746500      0.2279000    
 C    2.902300       1.798300      0.4930000    
 C    4.157200     -0.9935000     -0.3211000    
 C    5.199100      -2.000000      6.7500003E-02
 H  -0.9841000      -1.212200       1.172900    
 H   -4.101500      0.6006000       1.573200    
 H   -2.240900       2.298700      0.7741000    
 H   -1.733200       1.087500       1.961500    
 H   -1.083900      0.4758000      -2.292300    
 H   -1.527700       2.040900      -1.660200    
 H   -4.305300       1.988100     -0.4793000    
 H   -5.023700      0.4006000     -0.7178000    
 H   -3.311200     -0.3216000      -2.147400    
 H   -3.519400       1.343700      -2.615300    
 H  -0.1507000      -1.979100      -1.064300    
 H   -1.735200      -1.767800      -1.761900    
 H   -2.797900      -1.356600       2.647700    
 H   -2.983200      -2.808100       1.661000    
 H   -4.359200      -1.771800       1.927100    
 H   -1.189600      -3.630400      0.5973000    
 H   -2.698100      -3.516500     -0.3702000    
 H   -1.219600      -4.106200      -1.096000    
 H    1.040300      -1.018000      0.4595000    
 H  -0.1576000       3.102300     -0.1600000    
 H    2.174000       3.799500      0.1704000    
 H    3.929700       2.120000      0.6402000    
 H    5.957900      -1.522800      0.6925000    
 H    5.682200      -2.388600     -0.8334000    
 H    4.729000      -2.831100      0.5987000    


%chk=000041809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000041809

0 1
O 3.753400 -0.304121 0.281400
O 2.690181 -2.410481 0.354702
N -2.954816 -0.972202 0.572203
C -1.257590 0.647956 -0.117403
C -1.521955 -0.890478 0.092835
C -3.424892 0.434960 0.854002
C -2.115743 1.235276 1.047538
C -1.868343 1.174246 -1.465508
C -4.203854 1.006026 -0.355744
C -3.372706 0.833468 -1.651459
C 0.217888 1.061215 -0.015097
C -1.225040 -1.786426 -1.136723
C -3.152856 -1.893311 1.712681
C -1.055848 -3.284862 -0.803988
C 1.268209 0.110666 0.085406
C 0.553712 2.442508 -0.008589
C 2.606608 0.553471 0.184667
C 1.895980 2.866519 0.091371
C 2.939524 1.923211 0.186274
C 3.724869 -1.710888 0.358637
C 5.146852 -2.221445 0.446909
H -0.856461 -1.224243 0.926563
H -4.061597 0.439785 1.758502
H -2.258080 2.327816 0.970338
H -1.643567 1.012472 2.023113
H -1.287759 0.773846 -2.318696
H -1.732711 2.273546 -1.488370
H -4.427487 2.075569 -0.162931
H -5.170332 0.479141 -0.465126
H -3.472284 -0.219364 -1.967827
H -3.792121 1.454501 -2.466651
H -0.298134 -1.427244 -1.625807
H -2.040596 -1.664545 -1.871281
H -2.593952 -1.594710 2.636120
H -2.821565 -2.908970 1.439258
H -4.227459 -1.948636 1.963523
H -0.254246 -3.439240 -0.056390
H -1.991309 -3.719551 -0.408797
H -0.780509 -3.858134 -1.708589
H 1.064906 -0.957769 0.093517
H -0.239636 3.195191 -0.072812
H 2.133174 3.935922 0.097466
H 3.988633 2.223071 0.262376
H 5.724964 -1.890627 -0.433152
H 5.140913 -3.319482 0.498988
H 5.644632 -1.806750 1.340550


