%chk=000039911.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039911

0 1
 O    3.974900      0.3387000     -0.4153000    
 O    1.725500      0.4204000      -1.277900    
 O   -1.532100      -1.301500      0.5370000    
 O    1.067400      -2.165700     -5.8600001E-02
 O    3.108200      -2.333400       1.004700    
 N   -4.754000      0.2035000     -0.4038000    
 C    3.055800     -0.1333000      -1.431200    
 C    2.959900      -1.654900      -1.325400    
 C    3.595700      0.2804000      -2.799600    
 C    3.169900       1.158700      0.3159000    
 C    1.886000       1.205400     -0.1766000    
 C   -3.331000      0.1367000     -0.1061000    
 C   -5.135500       1.558600     -0.8090000    
 C   -5.546300     -0.2197000      0.7534000    
 C   -2.927700      -1.279600      0.2722000    
 C    2.429400      -2.089700      1.6600000E-02
 C    3.547700       1.881200       1.428700    
 C   0.9083000       1.977400      0.4162000    
 C   -1.090500      -2.604500      0.8981000    
 C   0.4055000      -2.569600       1.144400    
 C   -4.326900       2.021100      -2.009100    
 C   -7.031100     -0.2200000      0.4318000    
 C    2.576500       2.670900       2.048600    
 C    1.264400       2.718700       1.545300    
 H    2.313200      -2.071000      -2.107700    
 H    3.945900      -2.120600      -1.444000    
 H    3.663500       1.372200      -2.870500    
 H    2.935200     -5.5199999E-02  -3.605900    
 H    4.602100     -0.1173000      -2.967000    
 H   -3.044700      0.8311000      0.6955000    
 H   -2.716300      0.4005000     -0.9738000    
 H   -6.182000       1.584700      -1.129900    
 H   -5.020900       2.278700      1.1100000E-02
 H   -5.332400      -1.256500       1.025100    
 H   -5.353800      0.4039000       1.635300    
 H   -3.416900      -1.620500       1.188000    
 H   -3.159200      -1.976600     -0.5425000    
 H    4.560300       1.841300       1.813500    
 H  -0.1025000       2.009800      2.5699999E-02
 H   -1.312800      -3.295600      7.6899998E-02
 H   -1.608600      -2.937200       1.804200    
 H   0.7592000      -3.562300       1.443500    
 H   0.6355000      -1.840500       1.930100    
 H   -4.788000       2.919100      -2.436200    
 H   -4.300200       1.263200      -2.799700    
 H   -3.301900       2.297400      -1.742800    
 H   -7.577100     -0.7542000       1.217900    
 H   -7.242300     -0.7295000     -0.5147000    
 H   -7.451500      0.7897000      0.3943000    
 H    2.835400       3.254200       2.928100    
 H   0.5217000       3.338100       2.040700    


%chk=000039911-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039911

0 1
O 4.113376 0.584956 -0.457961
O 1.904247 0.668477 -1.374181
O -1.523895 -1.187417 0.578998
O 1.190926 -2.097600 -0.272032
O 3.227034 -2.321743 0.843497
N -4.791967 0.460112 -0.196861
C 3.258864 0.062542 -1.579783
C 3.166189 -1.486518 -1.485362
C 3.826791 0.550910 -2.904230
C 3.207956 1.120192 0.492233
C 1.900304 1.150821 -0.040373
C -3.335178 0.324084 0.052542
C -5.130688 1.554563 -1.144690
C -5.585218 0.503429 1.061684
C -2.942305 -1.152950 0.197182
C 2.580162 -2.003015 -0.179691
C 3.496764 1.591223 1.774553
C 0.812191 1.630138 0.691740
C -1.001686 -2.550605 0.663743
C 0.481871 -2.484386 0.979856
C -4.803361 1.200316 -2.607775
C -7.030813 0.001818 0.881302
C 2.401686 2.096913 2.530043
C 1.088657 2.111355 2.002228
H 2.544338 -1.831783 -2.328287
H 4.188556 -1.887295 -1.587131
H 3.886121 1.650680 -2.897221
H 3.176438 0.233320 -3.736622
H 4.838458 0.139807 -3.060283
H -3.005844 0.875546 0.965454
H -2.771543 0.748270 -0.797047
H -6.216553 1.744389 -1.064701
H -4.621124 2.511330 -0.863946
H -5.077728 -0.145403 1.800266
H -5.592817 1.532836 1.502690
H -3.561375 -1.653584 0.975398
H -3.103741 -1.681999 -0.765950
H 4.512303 1.559504 2.177154
H -0.200699 1.609145 0.283309
H -1.164676 -3.095426 -0.291611
H -1.520289 -3.109169 1.476533
H 0.868082 -3.462723 1.320341
H 0.689723 -1.725993 1.755026
H -5.087540 2.031499 -3.280135
H -5.355029 0.293350 -2.910617
H -3.724820 1.007422 -2.753258
H -7.570949 0.023497 1.846415
H -7.027607 -1.033468 0.498047
H -7.598347 0.625743 0.167384
H 2.582460 2.469604 3.543697
H 0.263197 2.489987 2.613934


