%chk=000135537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135537

0 1
 O  -2.5900001E-02  -1.450000       3.613400    
 O   -1.552600      -4.480800      -2.061300    
 N  -0.4900000     -0.8332000       1.398600    
 N  -0.7963000      -3.055900     -0.3432000    
 C   -2.275600      0.2622000      0.1990000    
 C   -2.304000       1.553200      0.9902000    
 C   -3.251400      0.2865000     -0.8225000    
 C   -1.490900     -0.8314000      0.3365000    
 C   -3.413400       2.315900      0.2967000    
 C   -3.952200       1.551100     -0.7623000    
 C    2.578000      4.1800000E-02 -0.4000000    
 C    3.354100      4.4799998E-02  -1.700400    
 C    3.336700      0.6416000      0.6303000    
 C   0.7888000     -0.3457000       1.124600    
 C    4.646100      0.7181000      -1.287100    
 C    4.610300       1.058000      8.3800003E-02
 C   -1.602800      -1.921000     -0.4768000    
 C    1.307200     -0.4543000     -0.1671000    
 C   -3.405100     -0.7944000      -1.674500    
 C   -2.571500      -1.902600      -1.495100    
 C    2.822100      0.7491000       1.911600    
 C    1.538500      0.2502000       2.153500    
 C   -3.891900       3.580300      0.5919000    
 C   -4.983000       2.053300      -1.539100    
 C  -0.8236000      -1.397700       2.672000    
 C    5.750000      0.9988000      -2.073100    
 C    5.690000       1.686900      0.6812000    
 C   -4.931000       4.086200     -0.1912000    
 C   -5.471100       3.330500      -1.246000    
 C    6.838300       1.632500      -1.470700    
 C    6.808600       1.973300     -0.1073000    
 C   -2.233500      -1.905400       2.892500    
 C  -0.8187000      -4.224400      -1.112300    
 C   0.2158000      -5.217600     -0.6457000    
 H   -1.354900       2.089100      0.8970000    
 H   -2.561500       1.366800       2.036600    
 H    2.834600      0.6360000      -2.460100    
 H    3.541500     -0.9773000      -2.041900    
 H   0.7795000     -0.9003000     -0.9998000    
 H   -4.149000     -0.7934000      -2.464500    
 H   -2.741600      -2.711300      -2.191100    
 H    3.382900       1.221400       2.711300    
 H    1.136000      0.4193000       3.147500    
 H   -3.476000       4.164600       1.405100    
 H   -5.409900       1.482000      -2.356600    
 H    5.774200      0.7368000      -3.125000    
 H    5.681800       1.956100       1.732100    
 H   -5.328300       5.076400      1.5699999E-02
 H   -6.279800       3.746100      -1.841700    
 H  -0.1164000      -3.018000      0.4129000    
 H    7.720000       1.866300      -2.061500    
 H    7.668300       2.466400      0.3389000    
 H   -2.448700      -2.737300       2.218200    
 H   -2.957900      -1.101100       2.746000    
 H   -2.331000      -2.268700       3.920200    
 H    1.214500      -4.781200     -0.7365000    
 H   0.1656000      -6.121300      -1.259300    
 H   2.7600000E-02  -5.486000      0.3977000    


%chk=000135537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135537

0 1
O -0.283563 -1.478810 3.816348
O -1.541541 -4.766195 -1.766379
N -0.532515 -0.991630 1.516627
N -0.814391 -3.212706 -0.160455
C -2.248117 0.201063 0.167864
C -2.238837 1.531426 0.905594
C -3.193008 0.231550 -0.900483
C -1.484948 -0.948035 0.413246
C -3.292554 2.337858 0.152352
C -3.842647 1.555016 -0.909700
C 2.422381 0.373096 -0.362203
C 2.992572 0.846864 -1.694912
C 3.415765 0.473514 0.656657
C 0.811289 -0.495862 1.257636
C 4.423576 1.233207 -1.332961
C 4.653894 1.005638 0.059686
C -1.638605 -2.091461 -0.435663
C 1.136823 -0.103610 -0.076288
C -3.360250 -0.902772 -1.724820
C -2.586318 -2.060319 -1.497172
C 3.095753 0.084615 1.973913
C 1.804729 -0.398582 2.277585
C -3.736450 3.652476 0.373507
C -4.840483 2.090212 -1.753880
C -1.011425 -1.432815 2.782389
C 5.445546 1.745235 -2.150573
C 5.912195 1.292273 0.634669
C -4.738891 4.189476 -0.474148
C -5.284460 3.413804 -1.527743
C 6.708476 2.033029 -1.572662
C 6.937518 1.807815 -0.191981
C -2.472375 -1.874889 2.835677
C -0.778391 -4.453740 -0.805645
C 0.269848 -5.418555 -0.258859
H -1.240187 2.009814 0.870462
H -2.486367 1.418876 1.979864
H 2.424579 1.704457 -2.106133
H 2.961166 0.050795 -2.464645
H 0.387919 -0.170801 -0.870870
H -4.084117 -0.896848 -2.546948
H -2.693213 -2.948211 -2.122640
H 3.838254 0.151765 2.776903
H 1.554101 -0.702087 3.292900
H -3.318775 4.258704 1.185467
H -5.267115 1.496507 -2.570090
H 5.275733 1.922632 -3.218969
H 6.096046 1.121175 1.701382
H -5.095624 5.213025 -0.314329
H -6.058272 3.845786 -2.172059
H -0.138558 -3.066873 0.595204
H 7.514851 2.433279 -2.197410
H 7.919571 2.036261 0.237260
H -2.683184 -2.703097 2.136407
H -3.163286 -1.052123 2.581028
H -2.672061 -2.209473 3.864210
H 0.986798 -5.662108 -1.062198
H -0.226576 -6.360376 0.030904
H 0.829221 -5.027966 0.608375


