%chk=000086101.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086101

0 1
 I    2.966800      -4.125500     -0.2573000    
 O  -0.1080000       1.597800      0.4068000    
 O    2.446000       2.075300      7.8599997E-02
 O    4.937800      0.8828000      0.1679000    
 N   -4.533100      0.1756000     -0.1110000    
 N  -0.8782000     -0.1631000     -0.8930000    
 C   -3.123200     -0.2016000      6.0199998E-02
 C   -3.183200      -1.730600      8.1400000E-02
 C   -4.596800      -2.071800      0.5401000    
 C   -5.275500     -0.7315000      0.7678000    
 C   -2.219900      0.3132000      -1.053500    
 C   -4.800900       1.571400      0.2138000    
 C   -6.265200       1.912800      3.0300001E-02
 C   8.6400002E-02  0.5280000     -0.1641000    
 C    1.438300     -8.6099997E-02 -0.1145000    
 C    2.554000      0.7175000      4.8000002E-03
 C    1.530000      -1.461900     -0.1899000    
 C    3.814200      0.1213000      5.0299998E-02
 C    2.790200      -2.058300     -0.1445000    
 C    3.932400      -1.266600     -2.4400000E-02
 C    3.096900       2.831700     -0.9393000    
 C    5.390800       1.169600       1.489500    
 H   -2.749600      0.1424000       1.035700    
 H   -3.008500      -2.169300     -0.9085000    
 H   -2.435800      -2.146900      0.7658000    
 H   -4.592800      -2.681300       1.449400    
 H   -5.112400      -2.640100     -0.2431000    
 H   -5.181800     -0.4456000       1.823600    
 H   -6.338000     -0.7957000      0.5133000    
 H   -2.202400       1.408000      -1.070600    
 H   -2.570200     -2.6400000E-02  -2.035100    
 H   -4.493800       1.815400       1.238700    
 H   -4.226600       2.221600     -0.4554000    
 H  -0.6340000      -1.009300      -1.396300    
 H   -6.410000       2.993500      0.1358000    
 H   -6.901500       1.429900      0.7785000    
 H   -6.621600       1.628900     -0.9659000    
 H   0.6501000      -2.095900     -0.2469000    
 H    4.921400      -1.717900      1.1400000E-02
 H    2.482400       3.712300      -1.148400    
 H    4.071700       3.177500     -0.5844000    
 H    3.208600       2.265700      -1.870700    
 H    5.654000      0.2451000       2.013100    
 H    6.283400       1.796900       1.416900    
 H    4.625000       1.714600       2.050500    


%chk=000086101-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086101

0 1
I 3.159881 -4.196211 1.047918
O -0.319011 1.367800 0.889586
O 2.433173 2.006629 -0.294594
O 5.080445 0.860482 0.061440
N -4.443220 0.233939 0.076462
N -0.765330 -0.206044 -0.767022
C -3.119309 -0.459936 0.123571
C -3.431493 -1.959268 -0.161807
C -4.880995 -1.954219 -0.718602
C -5.524286 -0.781642 0.048943
C -2.173743 0.201821 -0.917012
C -4.604436 1.340320 1.043334
C -5.792116 2.258759 0.701124
C 0.068913 0.413249 0.152322
C 1.466794 -0.170762 0.217123
C 2.610203 0.649963 0.030537
C 1.625763 -1.550315 0.511345
C 3.909666 0.088772 0.207334
C 2.921443 -2.095071 0.624948
C 4.066571 -1.287010 0.486411
C 2.995897 2.417312 -1.605390
C 5.220729 1.970682 1.039267
H -2.640183 -0.346776 1.121488
H -2.706041 -2.414765 -0.860807
H -3.392529 -2.540892 0.777391
H -5.407677 -2.910226 -0.556091
H -4.883894 -1.735596 -1.802043
H -5.821228 -1.108504 1.079061
H -6.426871 -0.389257 -0.452977
H -2.225942 1.297067 -0.787202
H -2.515442 -0.042666 -1.938533
H -4.726810 0.948293 2.086881
H -3.670643 1.933226 1.038434
H -0.384402 -0.946790 -1.357306
H -5.842413 3.104299 1.411469
H -6.754522 1.717886 0.754145
H -5.680239 2.662602 -0.320752
H 0.741095 -2.175100 0.666371
H 5.079376 -1.680777 0.600987
H 2.808813 3.499365 -1.669389
H 4.078154 2.203238 -1.660314
H 2.464831 1.895123 -2.423124
H 5.330387 1.558056 2.059195
H 6.139447 2.499799 0.745520
H 4.348595 2.646545 0.997755


