%chk=000155928.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155928

0 1
 O    2.652900      -1.384700      0.1187000    
 O   -1.678300      -1.621300      -1.253200    
 O   0.2735000       2.539900     -0.5908000    
 O   -5.594900       1.604400      0.6272000    
 N    1.474600      0.6135000     -9.2600003E-02
 N  -0.7988000      0.4894000     -0.8101000    
 N   -3.140000      0.8624000     -0.6073000    
 C    2.675800       1.399000      5.5900000E-02
 C    3.703300       1.015000      -1.011600    
 C    3.253000       1.245200       1.465500    
 C   0.2458000      -1.488700      0.1930000    
 C    5.005400       1.794300     -0.8455000    
 C    4.554800       2.025500       1.628000    
 C    5.576900       1.642600      0.5615000    
 C    1.583500     -0.7773000      5.2299999E-02
 C  -0.8319000     -0.9092000     -0.7116000    
 C   0.3072000       1.309000     -0.4856000    
 C  -0.2239000      -1.327500       1.650600    
 C   0.4222000      -2.987600     -0.1053000    
 C   -1.952500       1.153000      -1.408200    
 C   -3.170900       1.696800      0.6018000    
 C   -4.363600       1.070600      -1.394100    
 C   -1.500200      -2.066000       1.879700    
 C   0.9998000      -3.192900      -1.466400    
 C   -4.424000       1.384100       1.414600    
 C   -5.589100      0.7737000     -0.5344000    
 C   -1.631600      -3.064300       2.760100    
 C    2.170800      -3.798800      -1.692000    
 H    2.455600       2.464500     -8.1299998E-02
 H    3.289100       1.217900      -2.007600    
 H    3.969900     -4.3499999E-02  -1.011500    
 H    3.453400      0.1992000       1.720700    
 H    2.523400       1.601600       2.203600    
 H    5.740000       1.449800      -1.582200    
 H    4.823100       2.856300      -1.051700    
 H    4.346100       3.100600       1.563800    
 H    4.973800       1.842000       2.623800    
 H    5.892900      0.6036000      0.7162000    
 H    6.470800       2.267700      0.6659000    
 H   0.5592000      -1.672900       2.339100    
 H  -0.3928000     -0.2720000       1.899300    
 H    1.066300      -3.453300      0.6532000    
 H  -0.5288000      -3.533600     -7.5999998E-02
 H   -1.803000       2.228800      -1.552600    
 H   -2.059800      0.7111000      -2.407600    
 H   -3.171200       2.760800      0.3312000    
 H   -2.293400       1.507600       1.229900    
 H   -4.410800       2.106500      -1.754600    
 H   -4.375400      0.4058000      -2.265400    
 H   -2.389800      -1.743500       1.345600    
 H   0.4300000      -2.854600      -2.327600    
 H   -4.419300      0.3511000       1.783600    
 H   -4.478900       2.046300       2.284600    
 H   -6.501700      0.9865000      -1.100200    
 H   -5.624600     -0.2798000     -0.2312000    
 H   -2.592300      -3.546400       2.904200    
 H  -0.7914000      -3.418600       3.346900    
 H    2.534700      -3.929300      -2.705400    
 H    2.784100      -4.173600     -0.8801000    


%chk=000155928-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155928

0 1
O 2.531300 -1.518411 0.561617
O -1.879484 -1.706284 -1.299885
O 0.300845 2.367106 -0.782065
O -5.296204 1.953137 0.955064
N 1.458399 0.436711 -0.120128
N -0.785477 0.322200 -1.030363
N -3.031883 1.273712 -0.679578
C 2.686965 1.280992 0.137551
C 3.861847 0.888412 -0.791494
C 3.093187 1.278305 1.630769
C 0.159714 -1.726338 0.052239
C 5.053605 1.850054 -0.558586
C 4.289143 2.239555 1.845745
C 5.480459 1.870391 0.928946
C 1.484378 -0.948524 0.153266
C -0.895914 -1.065409 -0.832828
C 0.320712 1.112528 -0.639550
C -0.419626 -1.733172 1.541029
C 0.438498 -3.184811 -0.423132
C -1.980334 1.034092 -1.643208
C -3.179694 2.647100 -0.149412
C -4.327843 0.588430 -0.882054
C -1.671375 -2.562554 1.726119
C 0.895188 -3.271448 -1.865768
C -3.987666 2.599765 1.159252
C -5.107758 0.583439 0.443861
C -1.785145 -3.565064 2.632908
C 2.133587 -3.658018 -2.261842
H 2.365357 2.304799 -0.125787
H 3.532487 0.934675 -1.847340
H 4.171539 -0.150029 -0.580375
H 3.378773 0.257229 1.939093
H 2.232137 1.594066 2.251280
H 5.903645 1.545293 -1.198429
H 4.769218 2.876600 -0.870310
H 3.972269 3.281277 1.630825
H 4.598508 2.211776 2.908050
H 5.863683 0.869131 1.213163
H 6.310382 2.587993 1.076972
H 0.388015 -2.113154 2.193561
H -0.622363 -0.682120 1.835141
H 1.202013 -3.612947 0.248705
H -0.500601 -3.752584 -0.294176
H -1.573853 1.968475 -2.064442
H -2.330286 0.370869 -2.450989
H -3.708645 3.308201 -0.877590
H -2.178987 3.075411 0.040107
H -4.944682 1.101873 -1.658330
H -4.136511 -0.448758 -1.209373
H -2.530096 -2.305921 1.090880
H 0.139636 -3.013279 -2.623006
H -3.411478 2.040470 1.928540
H -4.215710 3.613692 1.527335
H -6.124473 0.178248 0.310990
H -4.555454 -0.023110 1.195043
H -2.721903 -4.119660 2.757386
H -0.947584 -3.859060 3.278217
H 2.403717 -3.717332 -3.322650
H 2.910823 -3.921320 -1.534165


