%chk=000152578.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152578

0 1
 O   -5.550700      -2.314300      -1.791600    
 O   -5.108800     -0.3317000      -2.808100    
 N   0.7513000      0.8364000       1.637200    
 N    3.303100     -0.9674000      -1.156100    
 C    1.616600      0.2250000      0.6899000    
 C    2.264400       1.012400     -0.2673000    
 C    1.813100      -1.159400      0.7231000    
 C    3.110400      0.3654000      -1.183700    
 C    2.676700      -1.721400     -0.2321000    
 C  -0.6222000       1.112400       1.619300    
 C   -2.766600       1.037400      0.4914000    
 C   -3.587500      0.6641000     -0.6962000    
 C   -1.398800      0.7644000      0.5082000    
 C    2.085500       2.405700     -0.3239000    
 C    1.175200      -1.974900       1.674000    
 C   -1.231800       1.736700       2.713500    
 C    3.758200       1.144000      -2.139200    
 C    2.876400      -3.099000     -0.2040000    
 C   -3.367000       1.660100       1.585600    
 C   -4.184800     -0.7459000     -0.6150000    
 C   -2.599600       2.009700       2.696800    
 C    2.744600       3.161200      -1.288900    
 C    1.391600      -3.349600       1.680700    
 C    3.582600       2.528800      -2.198400    
 C    2.244100      -3.912500      0.7395000    
 C   -4.975800      -1.088000      -1.854600    
 H    1.236800       1.128300       2.480400    
 H   -4.393500       1.398800     -0.8291000    
 H   -2.974800      0.7549000      -1.603600    
 H  -0.9462000      0.2762000     -0.3519000    
 H    1.441200       2.932900      0.3749000    
 H   0.5061000      -1.567000       2.427100    
 H  -0.6468000       2.014700       3.586800    
 H   -4.432100       1.876400       1.585700    
 H    4.420100      0.6718000      -2.863000    
 H    3.539900      -3.563900     -0.9310000    
 H   -3.385400      -1.487600     -0.5059000    
 H   -4.852800     -0.8197000      0.2506000    
 H   -3.067200       2.493800       3.549100    
 H    2.605700       4.237200      -1.329800    
 H   0.8987000      -3.977200       2.416700    
 H    4.101900       3.109100      -2.955300    
 H    2.420100      -4.984100      0.7360000    
 H   -6.071200      -2.516600      -2.598100    


%chk=000152578-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152578

0 1
O -5.628722 -1.532951 -2.359474
O -5.258848 0.627700 -3.125344
N 0.596777 0.313372 1.872513
N 3.402864 -1.117809 -1.068939
C 1.480713 -0.141790 0.868109
C 1.854082 0.668014 -0.255213
C 2.087749 -1.433219 1.023525
C 2.802032 0.106514 -1.215488
C 3.071733 -1.859838 0.034651
C -0.698654 0.876202 1.727795
C -2.725387 1.353627 0.407946
C -3.501978 1.236644 -0.896133
C -1.423384 0.809819 0.508702
C 1.399534 2.018935 -0.452372
C 1.754814 -2.336067 2.093462
C -1.301777 1.483591 2.863554
C 3.171839 0.888728 -2.366825
C 3.719589 -3.134400 0.202558
C -3.314631 1.961083 1.546886
C -4.235184 -0.123516 -0.994210
C -2.603069 2.015476 2.766670
C 1.798546 2.752937 -1.566442
C 2.396036 -3.566955 2.219544
C 2.678160 2.176539 -2.545555
C 3.400135 -3.964363 1.272709
C -5.062772 -0.251225 -2.257808
H 0.842940 0.043375 2.827010
H -4.246543 2.048545 -0.978747
H -2.826092 1.340513 -1.764446
H -0.969850 0.329338 -0.365089
H 0.737415 2.476744 0.286980
H 0.958946 -2.074790 2.800520
H -0.746111 1.549437 3.807156
H -4.320189 2.391560 1.475545
H 3.866534 0.427150 -3.075154
H 4.462551 -3.414966 -0.550248
H -3.520311 -0.966786 -0.958116
H -4.909311 -0.268397 -0.127618
H -3.057811 2.486630 3.645212
H 1.445881 3.781988 -1.695318
H 2.122981 -4.245700 3.034890
H 2.971105 2.763796 -3.422810
H 3.899201 -4.932696 1.388480
H -6.170834 -1.585187 -3.193368


