%chk=000131857.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131857

0 1
 O    3.476700       1.934200      -2.602100    
 O    2.020500      0.3285000      -1.918500    
 N   -2.508400     -0.5838000      0.9246000    
 N   -3.807000     -0.7252000     -0.8805000    
 N   -2.901300       1.726100       1.556500    
 C   -2.581400      -2.840000     -0.3120000    
 C   -3.251400      -3.612400      -1.412400    
 C   -1.813100      -3.206800      -1.549700    
 C   -2.974200      -1.372500     -9.3099996E-02
 C   -3.081600      0.6474000      0.7763000    
 C   -1.582900     -0.9786000       1.960300    
 C   -3.884900      0.5397000     -0.3505000    
 C   -4.606700       1.672400     -0.7483000    
 C  -0.1578000     -0.7261000       1.548600    
 C   -4.460900       2.825600      2.3100000E-02
 C   -3.619600       2.793600       1.131000    
 C   0.4311000      0.4975000       1.836800    
 C   0.5491000      -1.720100      0.8859000    
 C   -5.503000       1.688700      -1.940300    
 C    1.752100      0.7317000       1.455100    
 C    1.870200      -1.486200      0.5041000    
 C    2.471600     -0.2602000      0.7887000    
 C    3.842200     -1.7600000E-02  0.3934000    
 C    4.152100      0.5337000     -0.8516000    
 C    4.868400     -0.3444000       1.282100    
 C    5.482400      0.7569000      -1.206300    
 C    6.198800     -0.1211000      0.9274000    
 C    6.505900      0.4295000     -0.3168000    
 C    3.113200      0.8894000      -1.811400    
 H   -2.377600      -3.410100      0.5878000    
 H   -3.973300      -3.120700      -2.052600    
 H   -3.462800      -4.660500      -1.235400    
 H   -1.060500      -3.981400      -1.464700    
 H   -1.574200      -2.430400      -2.266300    
 H   -1.746400      -2.031800       2.211000    
 H   -1.828800     -0.4177000       2.870500    
 H   -4.991100       3.738700     -0.2294000    
 H   -3.497300       3.685700       1.739900    
 H  -0.1169000       1.276700       2.358400    
 H   0.1030000      -2.686000      0.6742000    
 H   -5.159400       2.435800      -2.663200    
 H   -5.519900      0.7170000      -2.444200    
 H   -6.528300       1.929200      -1.640900    
 H    2.206000       1.692800       1.685100    
 H    2.418100      -2.271800     -1.1000000E-02
 H    4.649000     -0.7748000       2.256700    
 H    5.757700       1.170700      -2.172900    
 H    6.995800     -0.3767000       1.619500    
 H    7.542100      0.6000000     -0.5940000    
 H    2.773100       2.168200      -3.244500    


%chk=000131857-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131857

0 1
O 3.905402 -0.017919 -3.364760
O 2.358207 -1.159211 -2.075075
N -2.597201 -0.337420 0.984974
N -3.742702 -0.300919 -1.006874
N -3.846183 1.395520 2.211476
C -1.805915 -1.887628 -0.858725
C -2.205095 -2.669548 -2.124350
C -1.115891 -1.607804 -2.224596
C -2.725715 -0.869938 -0.317324
C -3.601818 0.633607 1.123672
C -1.635889 -0.681018 2.045818
C -4.305275 0.643771 -0.126581
C -5.390099 1.540530 -0.281069
C -0.176571 -0.547570 1.622595
C -5.664324 2.353397 0.851847
C -4.896337 2.258702 2.043722
C 0.244324 0.488708 0.753045
C 0.786466 -1.468266 2.098703
C -6.186204 1.613556 -1.565454
C 1.585869 0.574717 0.339154
C 2.135865 -1.372920 1.697166
C 2.548771 -0.367168 0.787433
C 3.975603 -0.275847 0.353201
C 4.386794 -0.232329 -1.018579
C 4.978246 -0.163613 1.352414
C 5.755960 -0.028629 -1.344469
C 6.338686 0.009687 1.021213
C 6.729802 0.093240 -0.334808
C 3.434978 -0.519386 -2.132973
H -1.190541 -2.409793 -0.122116
H -3.185389 -2.424561 -2.541470
H -1.919640 -3.724459 -2.170053
H -0.065336 -1.896369 -2.313254
H -1.387468 -0.662612 -2.703105
H -1.827847 -1.708745 2.409335
H -1.871569 0.010707 2.878363
H -6.488147 3.074892 0.814532
H -5.127537 2.897961 2.902459
H -0.487220 1.216640 0.385200
H 0.478803 -2.277505 2.772922
H -6.137963 2.626133 -2.007956
H -5.795257 0.892099 -2.300465
H -7.253858 1.387057 -1.386106
H 1.894345 1.377395 -0.340286
H 2.863647 -2.112445 2.050435
H 4.670767 -0.180124 2.403634
H 6.040645 0.011185 -2.399071
H 7.086038 0.096879 1.817544
H 7.781097 0.243033 -0.601563
H 3.261074 -0.282869 -4.075377


