%chk=000018349.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018349

0 1
 O    2.099800     -9.3500003E-02  -1.424400    
 O   -4.721600     -0.8397000     -0.2468000    
 O   -5.064400       1.414300      7.0799999E-02
 N    4.596700     -0.3796000     -0.2857000    
 N    1.297400      0.7098000      0.6306000    
 C    3.659200      0.5859000      0.2868000    
 C    5.949200     -0.1374000      0.2152000    
 C    4.174800      -1.745700      2.1700000E-02
 C  -0.1073000      0.6418000      0.4719000    
 C  -0.7789000     -0.5160000      0.8348000    
 C  -0.7884000       1.734600     -4.3400001E-02
 C    2.275700      0.3530000     -0.2952000    
 C   -2.163400     -0.5828000      0.6788000    
 C   -2.173000       1.668000     -0.1993000    
 C   -2.860400      0.5093000      0.1618000    
 C    6.427800       1.257800     -0.1489000    
 C    5.138100      -2.763100     -0.5658000    
 C  -5.9900001E-02  -1.702100       1.391600    
 C  -7.9899997E-02   2.989500     -0.4396000    
 C   -4.303900      0.4399000     -1.3000000E-03
 C   -6.127900      -1.037800     -0.4275000    
 C   -6.389800      -2.506300     -0.6860000    
 H    3.638100      0.5185000       1.381800    
 H    3.904300       1.616400      8.3999997E-03
 H    6.667500     -0.8172000     -0.2539000    
 H    6.017500     -0.2817000       1.300800    
 H    3.193300      -1.975800     -0.4037000    
 H    4.096600      -1.908300       1.104700    
 H    1.594700       1.243800       1.444500    
 H   -2.689900      -1.487100      0.9748000    
 H   -2.716600       2.517800     -0.6060000    
 H    6.256400       1.482800      -1.207200    
 H    5.956400       2.034500      0.4609000    
 H    7.506500       1.333900      2.9700000E-02
 H    4.681900      -3.759200     -0.5312000    
 H    6.072500      -2.833800     -3.9999999E-04
 H    5.367500      -2.548700      -1.615300    
 H   0.5400000      -1.416400       2.262200    
 H  -0.7535000      -2.482700       1.722500    
 H   0.5935000      -2.142400      0.6315000    
 H   0.4978000       3.387900      0.4011000    
 H   0.5923000       2.798200      -1.282400    
 H  -0.7797000       3.773500     -0.7489000    
 H   -6.658900     -0.7190000      0.4761000    
 H   -6.472100     -0.4430000      -1.280700    
 H   -6.032400      -3.114500      0.1515000    
 H   -5.849100      -2.843000      -1.576700    
 H   -7.457600      -2.693900     -0.8287000    


%chk=000018349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018349

0 1
O 2.087740 -0.514557 -1.243704
O -4.892158 -0.850025 -0.309004
O -5.125128 1.464602 -0.165937
N 4.746594 -0.399595 0.017304
N 1.301908 0.697576 0.604077
C 3.728170 0.633292 0.222057
C 6.132142 0.131768 0.051538
C 4.536671 -1.599117 0.869225
C -0.114068 0.585132 0.398133
C -0.738290 -0.690990 0.260435
C -0.879375 1.793623 0.392633
C 2.313894 0.187231 -0.223268
C -2.139320 -0.727682 0.072477
C -2.273745 1.711273 0.217645
C -2.910815 0.457702 0.045546
C 6.478001 1.017165 -1.161534
C 5.213324 -2.863191 0.306612
C 0.041717 -1.984885 0.355321
C -0.201633 3.143433 0.551300
C -4.387810 0.445160 -0.146598
C -6.367633 -0.949526 -0.512734
C -6.691656 -2.431537 -0.671434
H 3.682053 0.994420 1.288207
H 3.988776 1.512457 -0.397265
H 6.814972 -0.735718 0.052064
H 6.334126 0.694437 1.001021
H 3.447660 -1.786295 0.911909
H 4.875478 -1.418316 1.922629
H 1.606680 1.349917 1.332716
H -2.644479 -1.691425 -0.038592
H -2.888494 2.617427 0.197331
H 6.269227 0.471539 -2.097570
H 5.901030 1.959877 -1.178540
H 7.549245 1.290078 -1.139575
H 4.955921 -3.741481 0.927254
H 6.315132 -2.781608 0.290680
H 4.864104 -3.041384 -0.724487
H 0.774606 -1.950167 1.183609
H -0.636324 -2.837874 0.526000
H 0.618140 -2.161314 -0.570308
H 0.232626 3.280261 1.562856
H 0.619805 3.270921 -0.178345
H -0.924149 3.961580 0.398481
H -6.871082 -0.495524 0.360253
H -6.635960 -0.358317 -1.407158
H -6.399195 -2.998320 0.229119
H -6.163215 -2.859728 -1.540340
H -7.778314 -2.561797 -0.826542


