%chk=000104564.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104564

0 1
 O    1.574300     -0.4068000      -1.015100    
 O    2.412400      -2.514400     -0.6215000    
 O   -6.402700      -1.649700       1.134500    
 N  -0.9499000      0.9090000      -1.064400    
 C  -0.4397000      0.1593000      -2.195100    
 C  -0.2100000       2.061100     -0.5892000    
 C   -2.144200      0.5144000     -0.4262000    
 C   0.4646000     -0.9612000      -1.710400    
 C  -0.8329000       3.337500      -1.120900    
 C   -2.620400       1.234000      0.6697000    
 C   -2.848300     -0.5968000     -0.8901000    
 C   -3.800700      0.8426000       1.301600    
 C   -4.028700     -0.9882000     -0.2583000    
 C   -4.504800     -0.2685000      0.8376000    
 C    2.475800      -1.299000     -0.5202000    
 C    3.580100     -0.5969000      0.1813000    
 C   -5.734900     -0.6774000       1.497200    
 C    4.832800      -1.175100      0.1998000    
 C    3.319100      0.6120000      0.7931000    
 C    5.870000     -0.5154000      0.8592000    
 C    4.356300       1.271700       1.452200    
 C    5.631800      0.7079000       1.485300    
 H   0.1636000      0.8365000      -2.815400    
 H   -1.218000     -0.2011000      -2.874600    
 H  -0.1046000       2.078100      0.5011000    
 H   0.8203000       2.029600     -0.9642000    
 H   0.8305000      -1.526000      -2.575900    
 H  -7.6499999E-02  -1.645500      -1.047100    
 H  -0.8462000       3.338300      -2.216600    
 H   -1.862200       3.484000     -0.7823000    
 H  -0.2491000       4.204000     -0.7939000    
 H   -2.119600       2.102700       1.082000    
 H   -2.525800      -1.210500      -1.723300    
 H   -4.159100       1.412200       2.155300    
 H   -4.559200      -1.859400     -0.6337000    
 H   -6.060400     -6.9600001E-02   2.358500    
 H    5.031300      -2.125400     -0.2868000    
 H    2.332500       1.062900      0.7999000    
 H    6.863400     -0.9540000      0.8845000    
 H    4.170000       2.222100       1.943900    
 H    6.439100       1.221100       1.999500    


%chk=000104564-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000104564

0 1
O 1.668539 -0.283529 -0.974573
O 2.491665 -2.450003 -0.747038
O -6.626429 -1.968737 1.001373
N -1.083402 0.996934 -0.900224
C -0.435789 0.311862 -2.031819
C -0.423775 2.223182 -0.396206
C -2.283723 0.531694 -0.359254
C 0.466814 -0.864518 -1.634696
C -0.969778 3.521700 -1.033983
C -2.969498 1.261449 0.670169
C -2.880516 -0.698642 -0.809072
C -4.171270 0.782848 1.209128
C -4.084694 -1.157906 -0.265810
C -4.757772 -0.429992 0.755474
C 2.634442 -1.216559 -0.562365
C 3.806304 -0.570822 0.093305
C -6.022743 -0.906977 1.335159
C 4.848857 -1.413050 0.561485
C 3.905967 0.835414 0.257452
C 5.980276 -0.853234 1.188528
C 5.040465 1.391264 0.884843
C 6.078448 0.549539 1.351194
H 0.175915 1.048562 -2.582948
H -1.199069 -0.057044 -2.742046
H -0.518761 2.261955 0.704286
H 0.655092 2.124377 -0.606756
H 0.792507 -1.437896 -2.522898
H -0.027879 -1.556302 -0.931304
H -0.823809 3.514100 -2.129419
H -2.049215 3.643364 -0.838195
H -0.441390 4.402900 -0.625327
H -2.566245 2.208057 1.038723
H -2.393022 -1.303512 -1.578711
H -4.675587 1.361307 1.994409
H -4.532152 -2.096879 -0.611236
H -6.446702 -0.242083 2.132902
H 4.750160 -2.494918 0.424305
H 3.098418 1.476415 -0.106858
H 6.782913 -1.504875 1.549685
H 5.118017 2.476557 1.010919
H 6.958422 0.984099 1.838398


