%chk=000056411.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056411

0 1
 O   -1.723700       2.126900     -0.5346000    
 O   0.8784000       2.433900      0.5961000    
 N   -2.836200     -0.1360000      0.7539000    
 N    2.465500      0.4328000     -0.6268000    
 N   -1.480600      0.1354000      0.6855000    
 N    1.083200      0.4017000     -0.5623000    
 C   -3.121400      -1.430100      0.1492000    
 C    3.025800     -0.7479000      1.6300000E-02
 C    4.546700     -0.7511000     -0.1147000    
 C   -2.760200      -1.412300      -1.333500    
 C   -4.594400      -1.771200      0.3504000    
 C    5.155600      -1.986400      0.5308000    
 C   -1.063500       1.269100      2.9999999E-02
 C   0.4248000       1.435300      5.9799999E-02
 H   -2.530400      -2.211600      0.6451000    
 H    2.752200     -0.7597000       1.078600    
 H    2.620500      -1.659400     -0.4416000    
 H    4.834900     -0.7249000      -1.172700    
 H    4.966900      0.1450000      0.3579000    
 H   -3.052200      -2.355700      -1.808700    
 H   -3.276000     -0.6034000      -1.863700    
 H   -1.683700      -1.295300      -1.495800    
 H   -4.848600      -1.809800       1.415600    
 H   -4.827300      -2.750900     -8.0600001E-02
 H   -5.247200      -1.031300     -0.1268000    
 H   -3.084200     -0.1546000       1.742700    
 H    2.716300      0.4381000      -1.615000    
 H    4.916000      -2.029800       1.598000    
 H    4.783900      -2.900600      5.7100002E-02
 H    6.245100      -1.969600      0.4278000    
 H  -0.8343000     -0.5018000       1.141400    
 H   0.5948000     -0.3755000     -0.9967000    


%chk=000056411-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056411

0 1
O -0.780312 0.380555 -1.582283
O 0.380246 0.110279 1.825796
N -3.266681 0.055488 -0.070887
N 2.870415 0.329544 0.307979
N -1.960160 0.127933 0.461597
N 1.559321 0.374503 -0.216672
C -4.048399 -1.132005 0.381888
C 3.760603 -0.630502 -0.386602
C 5.170253 -0.576780 0.233668
C -3.444825 -2.417080 -0.214591
C -5.508109 -0.917938 -0.063212
C 6.142968 -1.559244 -0.452308
C -0.839536 0.255037 -0.323046
C 0.438961 0.235232 0.566258
H -4.026715 -1.215212 1.498379
H 3.332955 -1.641993 -0.261580
H 3.830635 -0.432098 -1.485834
H 5.571453 0.455270 0.153041
H 5.087702 -0.804879 1.312401
H -4.002703 -3.303995 0.136923
H -3.487527 -2.375520 -1.316938
H -2.388120 -2.536534 0.083560
H -5.949392 -0.013205 0.398091
H -6.127013 -1.782545 0.232278
H -5.557515 -0.810101 -1.161367
H -3.768402 0.946020 0.062295
H 3.271867 1.275924 0.384269
H 5.782897 -2.601133 -0.364752
H 6.254522 -1.329526 -1.528645
H 7.145341 -1.509874 0.009081
H -1.781329 0.033663 1.476512
H 1.383298 0.460021 -1.232599


