%chk=000226504.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226504

0 1
 O   -2.370300      -2.238400     -1.3200000E-02
 O   -3.797300      0.1055000      0.3413000    
 N   0.4447000       2.462000     -0.2261000    
 N    3.479600     -0.6796000      0.4902000    
 C    1.665400      0.6316000     -0.5197000    
 C   0.3128000      0.2370000     -0.3203000    
 C  -0.4321000       1.404300     -0.1387000    
 C    2.816800     -0.2633000     -0.7535000    
 C    1.714600       2.005100     -0.4560000    
 C  -0.3513000      -1.005000     -0.2769000    
 C   -1.813500       1.391400      8.5000001E-02
 C   -1.732800      -1.033100     -5.4000001E-02
 C   -2.450700      0.1479000      0.1240000    
 C    3.976200      0.4883000       1.212100    
 C    4.568400      -1.606600      0.1955000    
 C   -1.567700      -3.400800     -0.2042000    
 C   -4.463000       1.353600      0.5144000    
 H    2.466600      -1.154000      -1.291700    
 H    3.532900      0.2294000      -1.426600    
 H    2.536200       2.700800     -0.5562000    
 H   0.1872000       3.434900     -0.1341000    
 H   0.2580000      -1.888500     -0.4200000    
 H   -2.311600       2.343600      0.2155000    
 H    4.580100      0.1725000       2.071900    
 H    3.163700       1.080400       1.644200    
 H    4.606100       1.134100      0.5891000    
 H    5.344900      -1.150400     -0.4293000    
 H    4.189900      -2.496500     -0.3197000    
 H    5.035900      -1.959400       1.121700    
 H   -2.235400      -4.266500     -0.1412000    
 H  -0.8255000      -3.515800      0.5933000    
 H   -1.116500      -3.421900      -1.202200    
 H   -5.523500       1.132800      0.6756000    
 H   -4.403100       1.973100     -0.3870000    
 H   -4.110800       1.880000       1.408100    


%chk=000226504-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226504

0 1
O -2.113836 -2.133421 0.347993
O -3.662231 -0.013258 0.422285
N 0.396289 2.779410 -0.567825
N 3.279244 -0.858751 0.171998
C 1.805855 0.981490 -0.672794
C 0.463452 0.506795 -0.382272
C -0.395510 1.648927 -0.322882
C 3.035508 0.141770 -0.904585
C 1.724298 2.371106 -0.775605
C -0.082620 -0.786707 -0.155004
C -1.782115 1.541303 -0.059907
C -1.456708 -0.914192 0.105671
C -2.310790 0.252373 0.151097
C 3.481211 -0.239527 1.497134
C 4.376965 -1.778540 -0.184026
C -1.284420 -3.336120 0.315671
C -4.563020 1.134342 0.489408
H 2.925779 -0.433059 -1.847429
H 3.920682 0.818259 -1.044757
H 2.509493 3.095313 -0.985645
H 0.065035 3.740421 -0.592280
H 0.589166 -1.648489 -0.160946
H -2.422722 2.426995 -0.020383
H 3.565852 -1.029645 2.264854
H 2.613387 0.394344 1.743866
H 4.402725 0.396366 1.548328
H 5.369660 -1.267873 -0.287956
H 4.150556 -2.278283 -1.143686
H 4.478031 -2.557405 0.593113
H -1.975531 -4.167046 0.521760
H -0.493504 -3.304419 1.091334
H -0.813921 -3.476591 -0.678020
H -5.552987 0.708503 0.710205
H -4.598882 1.679964 -0.475166
H -4.269492 1.834145 1.297750


