%chk=000128721.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128721

0 1
 O    2.345700      -2.414700     -0.2772000    
 O    4.122600       1.904300      0.1710000    
 N  -0.3327000      -1.083200     -0.2014000    
 N    1.808600       1.671900      0.1049000    
 N    3.258900     -0.2616000     -5.2900001E-02
 N  -0.5882000       1.121700      5.9000002E-03
 N   -2.542700     -0.2671000     -0.1673000    
 N   -3.259300      0.7779000     -8.3200000E-02
 N   -4.616000      0.5945000     -0.1270000    
 C   0.9256000     -0.5581000     -0.1272000    
 C   0.7405000      0.7916000     -6.9999998E-04
 C  -0.6759000      -2.479800     -0.3467000    
 C    2.199200      -1.200700     -0.1641000    
 C   -1.209800     -3.2900002E-02 -0.1169000    
 C    3.133300       1.168300      8.1699997E-02
 C    1.560300       3.102700      0.2358000    
 C  -0.8367000      -3.174900      0.9945000    
 C    4.623900     -0.7769000     -7.5099997E-02
 C   -5.415900       1.798400     -2.9500000E-02
 C   -5.241400     -0.6814000      0.1753000    
 H   -1.609500      -2.544800     -0.9168000    
 H   8.6499996E-02  -2.971300     -0.9573000    
 H    2.493400       3.666800      0.3095000    
 H   0.9683000       3.279600       1.139100    
 H    1.006500       3.449100     -0.6422000    
 H   9.0499997E-02  -3.134500       1.575500    
 H   -1.101300      -4.226500      0.8473000    
 H   -1.625400      -2.705400       1.591800    
 H    4.658100      -1.863900     -0.1778000    
 H    5.124600     -0.4859000      0.8539000    
 H    5.159100     -0.3181000     -0.9126000    
 H   -6.338700       1.666500     -0.6012000    
 H   -4.863200       2.648100     -0.4413000    
 H   -5.651000       1.984900       1.021900    
 H   -4.672100      -1.506400     -0.2606000    
 H   -6.248500     -0.6994000     -0.2513000    
 H   -5.299600     -0.7970000       1.260900    


%chk=000128721-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128721

0 1
O 2.388050 -2.472932 -0.231058
O 4.190359 1.874422 0.088884
N -0.405424 -1.065894 -0.130408
N 1.851290 1.681808 0.077725
N 3.261851 -0.272443 -0.066289
N -0.569004 1.224946 0.037411
N -2.630401 -0.200315 -0.081738
N -3.368852 0.897372 0.017167
N -4.696016 0.635261 -0.031289
C 0.900675 -0.561468 -0.080164
C 0.752139 0.837856 0.017504
C -0.797850 -2.491937 -0.187588
C 2.176520 -1.220913 -0.135078
C -1.259687 0.038522 -0.050719
C 3.158874 1.143442 0.037551
C 1.662198 3.141437 0.179789
C -0.667872 -3.186410 1.182180
C 4.642865 -0.804553 -0.110215
C -5.578449 1.801215 0.081575
C -5.236133 -0.726794 -0.182801
H -1.840136 -2.514391 -0.544444
H -0.144307 -2.990729 -0.922546
H 2.658792 3.605259 0.205394
H 1.101425 3.385880 1.097445
H 1.089365 3.508536 -0.688141
H 0.383506 -3.185814 1.515235
H -0.996980 -4.237744 1.096255
H -1.293069 -2.686347 1.942614
H 4.567709 -1.899657 -0.177217
H 5.192011 -0.506992 0.797969
H 5.178091 -0.398928 -0.984434
H -6.211641 1.905741 -0.819174
H -4.942951 2.693080 0.184616
H -6.234948 1.716077 0.967705
H -4.858073 -1.189276 -1.112705
H -6.335078 -0.668070 -0.209673
H -4.911149 -1.367447 0.657364


