%chk=000070884.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070884

0 1
 O   -1.931100       3.152600      -1.220900    
 N    1.518300     -0.1432000     -0.7107000    
 N   -1.642200      0.7177000       1.031400    
 N   -1.684100       3.499700       1.040200    
 C  -0.8302000       1.463900      6.9899999E-02
 C   0.5789000       1.717000      0.6262000    
 C  -0.7281000      0.7274000      -1.274200    
 C    1.450300      0.4564000      0.6286000    
 C   0.1826000     -0.5026000      -1.204700    
 C   -1.539800       2.775200     -0.1192000    
 C    2.394200      -1.314700     -0.7034000    
 C   -2.674500     -0.1258000      0.6659000    
 C    3.797700     -0.9632000     -0.2870000    
 C   -2.646900      -1.494300       1.001200    
 C   -3.785600      0.3568000     -5.4000001E-02
 C    4.724700     -0.5946000      -1.252000    
 C    4.144900      -1.013200       1.055700    
 C   -3.688300      -2.345700      0.6316000    
 C   -4.827000     -0.4944000     -0.4235000    
 C   -4.778300      -1.845600     -8.0799997E-02
 C    6.025200     -0.2694000     -0.8663000    
 C    5.445400     -0.6880000       1.441500    
 C    6.385500     -0.3161000      0.4803000    
 C   -5.891700      -2.755900     -0.4756000    
 H   0.5410000       2.106100       1.651800    
 H    1.077600       2.490700      2.5000000E-02
 H  -0.2917000       1.408400      -2.020900    
 H   -1.696800      0.4423000      -1.697000    
 H    2.427900      0.8083000      0.9673000    
 H    1.070700     -0.2606000       1.367800    
 H  -0.2656000      -1.284300     -0.5821000    
 H   0.2672000     -0.9132000      -2.218700    
 H   -1.160800      0.4434000       1.883600    
 H    2.432500      -1.758900      -1.707300    
 H    2.001800      -2.103800     -4.6300001E-02
 H   -2.139000       4.406600       1.032500    
 H   -1.385000       3.152000       1.945300    
 H   -1.803700      -1.900800       1.555600    
 H   -3.863400       1.406500     -0.3222000    
 H    4.454300     -0.5529000      -2.303400    
 H    3.429100      -1.316500       1.814600    
 H   -3.637900      -3.396900      0.9027000    
 H   -5.671900     -9.2799999E-02 -0.9768000    
 H    6.757100      2.0600000E-02  -1.614500    
 H    5.727100     -0.7277000       2.489600    
 H    7.398200     -6.3699998E-02  0.7806000    
 H   -5.688300      -3.194000      -1.457800    
 H   -6.016400      -3.565900      0.2511000    
 H   -6.844600      -2.217800     -0.5219000    


%chk=000070884-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070884

0 1
O -1.183767 3.373140 -1.312071
N 1.731879 -0.239752 -0.578989
N -1.578003 0.448246 0.891102
N -2.333742 3.062407 0.688195
C -0.782593 1.278039 -0.049678
C 0.583189 1.595939 0.642913
C -0.479731 0.575579 -1.405491
C 1.496625 0.359718 0.750272
C 0.456671 -0.632287 -1.227646
C -1.466597 2.660132 -0.303220
C 2.712434 -1.350135 -0.537240
C -2.780938 -0.230779 0.575694
C 4.127333 -0.889653 -0.198403
C -3.170900 -1.343746 1.375793
C -3.656226 0.179894 -0.468243
C 4.643369 0.312275 -0.746904
C 4.963032 -1.677299 0.630590
C -4.384412 -2.015955 1.138634
C -4.865295 -0.513000 -0.696747
C -5.258980 -1.621859 0.091249
C 5.969188 0.714278 -0.474061
C 6.292990 -1.279829 0.902058
C 6.800781 -0.081790 0.349684
C -6.552701 -2.372311 -0.176539
H 0.399775 2.020745 1.648807
H 1.095800 2.362715 0.036681
H -0.016641 1.323346 -2.071330
H -1.417086 0.239315 -1.882054
H 2.467343 0.665203 1.179719
H 1.061068 -0.397470 1.462104
H -0.068337 -1.432449 -0.641645
H 0.689270 -1.058577 -2.221355
H -1.019611 -0.006477 1.618361
H 2.713897 -1.815515 -1.543736
H 2.405251 -2.153662 0.181855
H -2.790157 3.970326 0.616014
H -2.564419 2.409506 1.438701
H -2.514415 -1.677625 2.190665
H -3.415187 1.045548 -1.091979
H 3.985600 0.924526 -1.374254
H 4.572183 -2.605361 1.067352
H -4.655001 -2.867764 1.775544
H -5.519397 -0.173462 -1.509497
H 6.355461 1.645987 -0.903388
H 6.927767 -1.899652 1.545736
H 7.830021 0.229970 0.560742
H -6.359584 -3.363564 -0.631248
H -7.121827 -2.548176 0.755251
H -7.206080 -1.813586 -0.869197


