%chk=000110633.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110633

0 1
 O  -0.1806000      -1.463300     -0.2621000    
 O   -2.917900     -0.9473000      3.1300001E-02
 O  -0.3814000      -3.645700      -1.960800    
 O   -4.444500     -0.6191000       1.726300    
 O    4.823600       2.649100     -0.6324000    
 N    1.210200      0.2134000      0.5161000    
 N   -5.797500       1.232200      0.2652000    
 N    3.340700     -0.9530000      0.5120000    
 N    1.953400       2.221800     -0.1095000    
 N    5.207200      0.4234000     -0.1116000    
 N    5.468400      -1.853100      0.4403000    
 C   -3.535800       1.787100     -0.6711000    
 C   -4.573600      0.6926000     -0.3294000    
 C   -1.086000      -2.527300      4.1000001E-02
 C   -2.270700      -1.956700      0.8123000    
 C   -3.014200       2.472200      0.5966000    
 C   -4.057000       2.843600      -1.652300    
 C   -4.002400     -0.3543000      0.6156000    
 C   0.2753000     -0.8274000      0.9203000    
 C   -1.528300      -3.156800      -1.273400    
 C    2.540100      0.1042000      0.3540000    
 C    2.989400       1.334300     -2.8400000E-02
 C   0.8893000       1.511800      0.2260000    
 C    4.398500       1.553200     -0.2873000    
 C    4.694000     -0.7348000      0.2612000    
 H   -2.675400       1.303900      -1.153200    
 H   -4.864000      0.1722000      -1.250400    
 H  -0.5549000      -3.276700      0.6407000    
 H   -2.002000      -1.563300       1.796900    
 H   -2.991700      -2.766100      0.9875000    
 H   -2.246200       3.210400      0.3396000    
 H   -2.555400       1.758500       1.287800    
 H   -3.807200       3.005700       1.130400    
 H   -3.257500       3.537100      -1.934100    
 H   -4.872800       3.431300      -1.218900    
 H   -4.426400       2.369300      -2.567500    
 H  -0.5128000     -0.2989000       1.462100    
 H   0.7969000      -1.525500       1.583300    
 H   -2.212100      -3.993900      -1.105100    
 H   -2.014200      -2.430900      -1.933400    
 H   -6.458200      0.4758000      0.4393000    
 H   -5.595100       1.650000       1.172000    
 H  -0.1231000       1.885600      0.2707000    
 H    3.010200      -1.870400      0.7927000    
 H   0.2219000      -2.894300      -2.092300    
 H    6.471000      -1.826600      0.2898000    
 H    5.062800      -2.737400      0.7264000    


%chk=000110633-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000110633

0 1
O -0.467113 -0.803166 0.522939
O -3.287721 -1.495314 0.146910
O 0.697306 -2.441308 -1.481864
O -3.130720 -0.033228 1.965360
O 5.279305 2.274490 0.495557
N 1.149830 0.418761 1.713614
N -5.127602 1.664827 0.760322
N 2.501740 -0.807990 0.009071
N 2.583849 2.163788 2.088192
N 4.660367 0.209644 -0.453147
N 4.000613 -1.778535 -1.528171
C -3.647202 1.213985 -1.230419
C -4.476644 0.619669 -0.031078
C -0.908510 -2.186189 0.300472
C -2.340222 -2.418253 0.815793
C -2.547572 2.188065 -0.749969
C -4.607303 1.894663 -2.229794
C -3.571018 -0.290327 0.822452
C 0.033236 -0.494148 1.871916
C -0.754672 -2.418098 -1.203660
C 2.264036 0.217814 0.905099
C 3.148570 1.283366 1.137016
C 1.399752 1.634586 2.407184
C 4.430436 1.347898 0.404825
C 3.758692 -0.742667 -0.629280
H -3.160948 0.351673 -1.731376
H -5.256213 -0.026245 -0.477135
H -0.235670 -2.895455 0.836765
H -2.389376 -2.256958 1.907484
H -2.691888 -3.433609 0.566313
H -1.974853 2.569889 -1.614078
H -1.829873 1.700103 -0.065612
H -2.990156 3.063373 -0.239671
H -4.041130 2.347793 -3.064132
H -5.180902 2.687204 -1.718855
H -5.327276 1.171733 -2.658456
H -0.757883 -0.010728 2.471582
H 0.362378 -1.436929 2.361015
H -1.206517 -3.387346 -1.488949
H -1.252226 -1.597702 -1.752946
H -5.953058 1.351516 1.278268
H -4.481623 2.185701 1.361886
H 0.680478 2.048342 3.110637
H 1.741267 -1.394872 -0.390649
H 0.870729 -2.224447 -2.430574
H 4.905611 -1.746646 -1.994061
H 3.521695 -2.672826 -1.432598


