%chk=000088859.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088859

0 1
 O  -0.1612000       4.994600     -0.1859000    
 N  -1.3800000E-02   2.154800     -6.1400000E-02
 N    4.758800      -2.095600     -0.2177000    
 N   -4.668500      -2.218100     -0.3341000    
 C  -6.0000001E-03  0.8885000      0.6679000    
 C    1.114100       3.001700      0.3513000    
 C   -1.281500       2.868600      0.1459000    
 C    1.267800      9.0700001E-02  0.4313000    
 C   -1.252500      5.7999998E-02  0.4002000    
 C    1.077800       4.321800     -0.4133000    
 C   -1.261100       4.191200     -0.6148000    
 C    1.794300     -0.6495000       1.470200    
 C   -2.133000     -0.1770000       1.436400    
 C    1.858500      0.1311000     -0.8151000    
 C   -1.465200     -0.4354000     -0.8709000    
 C    2.962000      -1.381000       1.253300    
 C   -3.275800     -0.9382000       1.191000    
 C    3.026200     -0.6005000      -1.032200    
 C   -2.607900      -1.196600      -1.116500    
 C    3.578000      -1.356300      2.0000001E-03
 C   -3.513200      -1.448100     -8.5500002E-02
 C    5.008500      -3.319100      0.5083000    
 C    5.740900      -1.649000      -1.178100    
 C   -5.882100      -1.989500      0.4151000    
 C   -4.665200      -3.247100      -1.347600    
 H  -1.0300000E-02   1.142000       1.740400    
 H    2.090100       2.547100      0.1612000    
 H    1.052700       3.213900       1.427400    
 H   -1.439200       3.068900       1.214000    
 H   -2.144700       2.311400     -0.2308000    
 H    1.880200       4.978500     -6.1999999E-02
 H    1.220700       4.169900      -1.490100    
 H   -1.199300       4.034300      -1.698800    
 H   -2.179600       4.751800     -0.4134000    
 H    1.322400     -0.6744000       2.447900    
 H   -1.958600      0.2126000       2.434800    
 H    1.447200      0.6995000      -1.643600    
 H  -0.7878000     -0.2378000      -1.694400    
 H    3.372000      -1.950300       2.082600    
 H   -3.954700      -1.125300       2.018000    
 H    3.473200     -0.5711000      -2.021900    
 H   -2.771400      -1.565700      -2.125100    
 H    5.381300      -3.104400       1.515400    
 H    5.761100      -3.936000      4.1999999E-03
 H    4.103400      -3.932400      0.5861000    
 H    5.893800     -0.5651000      -1.122700    
 H    5.438000      -1.914900      -2.196400    
 H    6.717400      -2.111500     -0.9945000    
 H   -6.076600     -0.9192000      0.5487000    
 H   -5.827500      -2.467500       1.398900    
 H   -6.754800      -2.403200     -0.1029000    
 H   -3.735000      -3.826500      -1.329700    
 H   -4.795200      -2.812000      -2.344200    
 H   -5.481000      -3.962300      -1.192600    


%chk=000088859-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088859

0 1
O -0.107276 5.153783 -0.405374
N -0.008870 2.264704 0.023473
N 4.762647 -2.201846 -0.167637
N -4.698347 -2.276848 -0.431456
C -0.024360 0.974648 0.791353
C 1.102737 3.156495 0.455671
C -1.288852 3.019696 0.102004
C 1.265875 0.180927 0.538482
C -1.263761 0.135548 0.455481
C 1.158956 4.402173 -0.441103
C -1.213674 4.262829 -0.797173
C 1.841406 -0.601992 1.566533
C -2.170909 -0.252851 1.468600
C 1.891656 0.151714 -0.732397
C -1.534081 -0.303457 -0.865412
C 2.987861 -1.390894 1.347984
C -3.301803 -1.047983 1.192933
C 3.040633 -0.623925 -0.972783
C -2.660844 -1.088571 -1.166424
C 3.618854 -1.423905 0.064270
C -3.577142 -1.487488 -0.139531
C 5.336270 -3.003584 0.917275
C 5.381994 -2.215292 -1.496285
C -5.609233 -2.680231 0.644198
C -4.945671 -2.720787 -1.806989
H -0.072589 1.190501 1.892065
H 2.058314 2.608459 0.385566
H 0.967506 3.476276 1.520413
H -1.509008 3.340171 1.152250
H -2.116404 2.372251 -0.234590
H 1.930057 5.109118 -0.091576
H 1.381622 4.094863 -1.486531
H -1.079266 3.944110 -1.854080
H -2.127460 4.873814 -0.707035
H 1.380777 -0.603159 2.563339
H -1.993806 0.074694 2.501459
H 1.476130 0.773261 -1.534406
H -0.850084 -0.020475 -1.673229
H 3.392292 -1.977202 2.178179
H -3.969138 -1.321608 2.015203
H 3.490554 -0.604824 -1.969884
H -2.824339 -1.400771 -2.202026
H 5.653146 -2.374262 1.775102
H 6.224613 -3.540125 0.547273
H 4.618306 -3.758807 1.300002
H 5.727658 -1.205990 -1.803224
H 4.682575 -2.583611 -2.275525
H 6.258454 -2.882863 -1.486380
H -6.068519 -1.804275 1.147773
H -5.093872 -3.284036 1.420243
H -6.423359 -3.292948 0.225227
H -4.114423 -3.343795 -2.198044
H -5.080868 -1.864462 -2.499806
H -5.865242 -3.326866 -1.837155


