%chk=000032846.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032846

0 1
 O  -0.5680000       2.032400       1.793100    
 O   -6.310800      -1.854100     -0.3097000    
 N    2.658200     -0.2330000     -4.6200000E-02
 N   -3.535500      -1.424600      0.1541000    
 C  -0.2313000      0.4555000      3.1700000E-02
 C   0.5011000     -0.3326000       1.135700    
 C   0.7155000      0.8224000      -1.126600    
 C   -1.430600     -0.3575000     -0.4734000    
 C    1.984800      3.3100002E-02   1.228200    
 C    1.868700     -0.1709000      -1.279100    
 C  -0.7654000       1.740800      0.6146000    
 C   -2.412600     -0.6353000      0.6557000    
 C   -1.547700       2.630900     -0.3351000    
 C    4.015100     -0.5467000     -8.2000002E-02
 C   -4.262200     -0.6918000     -0.8921000    
 C   -4.451000      -1.782500       1.246400    
 C   -1.398200       4.113100     -4.6999999E-03
 C   -5.436400      -1.529400      -1.391100    
 C   -5.619800      -2.595100      0.6967000    
 C    4.544900      -1.386700      -1.085700    
 C    4.908700     -3.6100000E-02  0.8844000    
 C   -2.162800       4.983300     -0.9885000    
 C    5.903400      -1.701200      -1.121100    
 C    6.267300     -0.3506000      0.8489000    
 C    6.764500      -1.183200     -0.1539000    
 H   4.3000001E-02 -0.2124000       2.124600    
 H   0.4488000      -1.408400      0.9144000    
 H   0.1768000      0.8743000      -2.080800    
 H    1.150700       1.819400     -0.9668000    
 H   -1.081500      -1.305600     -0.9049000    
 H   -1.892200      0.1973000      -1.294000    
 H    2.426200     -0.5709000       2.030800    
 H    2.104700       1.088600       1.498700    
 H    2.488000      0.1657000      -2.119900    
 H    1.484200      -1.168000      -1.524900    
 H   -1.919300      -1.215000       1.443500    
 H   -2.781600      0.2883000       1.116200    
 H   -1.224700       2.477400      -1.367700    
 H   -2.602700       2.341300     -0.2728000    
 H   -4.631900      0.2666000     -0.5053000    
 H   -3.650000     -0.4973000      -1.775600    
 H   -3.928400      -2.380100       2.002000    
 H   -4.834700     -0.8769000       1.734100    
 H   -1.763200       4.309800       1.010300    
 H  -0.3377000       4.391400     -1.8600000E-02
 H   -6.015100     -0.9607000      -2.126000    
 H   -5.098200      -2.452400      -1.877800    
 H   -6.332900      -2.811600       1.498600    
 H   -5.286500      -3.554000      0.2815000    
 H    3.900300      -1.819600      -1.847300    
 H    4.558100      0.6267000       1.672100    
 H   -2.045500       6.040300     -0.7301000    
 H   -1.793100       4.840500      -2.009000    
 H   -3.231400       4.746300     -0.9734000    
 H    6.290400      -2.351900      -1.899800    
 H    6.938800      5.4800000E-02   1.600000    
 H    7.822300      -1.428100     -0.1814000    


%chk=000032846-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000032846

0 1
O -0.393951 2.505133 1.670514
O -6.242708 -2.386617 -0.242018
N 2.695538 -0.223682 -0.022271
N -3.537154 -1.372316 0.116170
C -0.202362 0.681494 0.032326
C 0.530806 -0.070939 1.183132
C 0.806163 0.905524 -1.155864
C -1.420716 -0.151467 -0.482872
C 2.045144 0.214499 1.231848
C 1.867815 -0.210674 -1.240284
C -0.671456 2.082821 0.514681
C -2.472402 -0.462855 0.602658
C -1.468403 2.954719 -0.464975
C 4.017584 -0.689582 -0.043146
C -4.490351 -0.721332 -0.821072
C -4.282341 -2.013063 1.233222
C -1.524570 4.445528 -0.071502
C -5.504306 -1.751883 -1.345426
C -5.289653 -3.031335 0.677756
C 4.533898 -1.411235 -1.166952
C 4.900514 -0.458998 1.060169
C -2.402139 5.269794 -1.036271
C 5.866304 -1.870912 -1.179472
C 6.226704 -0.934505 1.034580
C 6.728846 -1.643193 -0.082041
H 0.094562 0.220043 2.154502
H 0.387941 -1.160952 1.052268
H 0.257663 0.955475 -2.115309
H 1.339995 1.868329 -1.032757
H -1.047181 -1.114098 -0.883564
H -1.892797 0.381889 -1.330386
H 2.482807 -0.352748 2.074332
H 2.220374 1.292118 1.437862
H 2.517019 -0.009103 -2.113251
H 1.376568 -1.194285 -1.423426
H -1.972406 -0.968284 1.449448
H -2.899162 0.492066 1.008524
H -1.062162 2.835109 -1.488826
H -2.501849 2.546071 -0.508614
H -5.042658 0.114533 -0.319219
H -3.936640 -0.298290 -1.679199
H -3.561137 -2.533195 1.891825
H -4.831419 -1.257628 1.850270
H -1.903029 4.530275 0.963134
H -0.495940 4.853884 -0.050468
H -6.271112 -1.269721 -1.974206
H -4.970615 -2.528520 -1.934948
H -5.904468 -3.465233 1.483418
H -4.744395 -3.839747 0.144530
H 3.887548 -1.641368 -2.019652
H 4.561262 0.119360 1.924858
H -2.419821 6.335322 -0.744106
H -2.024973 5.213021 -2.075172
H -3.447067 4.904994 -1.037930
H 6.228460 -2.425285 -2.053701
H 6.877974 -0.736207 1.894321
H 7.761451 -2.006750 -0.096450


