%chk=000122083.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122083

0 1
 O    4.915600       1.353100      -1.278500    
 O    5.014000       1.470100      0.9827000    
 N   -1.810800     -0.4888000     -0.4299000    
 N    4.592700      -1.124800       1.365600    
 N   -7.902700      0.6440000      0.4468000    
 C    1.965500     -0.3670000      4.4199999E-02
 C   0.6211000     -0.7689000     -0.5677000    
 C    3.173900     -0.9988000     -0.6598000    
 C  -0.5387000     -8.9100003E-02  0.1600000    
 C   -2.925400      0.1442000      0.2610000    
 C   -4.252200     -0.2897000     -0.3618000    
 C    4.530700     -0.6700000     -2.4100000E-02
 C   -5.436600      0.3745000      0.3478000    
 C   -6.794900      1.9999999E-04 -0.2489000    
 C    4.847800      0.8110000     -3.7500001E-02
 H    2.059100      0.7253000      1.1700000E-02
 H    1.963800     -0.6527000       1.102900    
 H   0.6091000     -0.4931000      -1.629600    
 H   0.5083000      -1.859000     -0.5150000    
 H    3.044100      -2.088900     -0.6770000    
 H    3.177100     -0.6730000      -1.707700    
 H  -0.4181000      0.9994000      9.9299997E-02
 H  -0.5123000     -0.3721000       1.219300    
 H   -2.918600     -0.1372000       1.321000    
 H   -2.836500       1.236000      0.2025000    
 H   -4.271400     -2.1500001E-02  -1.425700    
 H   -4.355900      -1.380300     -0.3009000    
 H    5.325600      -1.178000     -0.5828000    
 H   -1.827700     -0.2368000      -1.417700    
 H   -5.313600       1.464600      0.3053000    
 H   -5.420100      9.6699998E-02   1.409700    
 H   -6.931200      -1.085600     -0.1988000    
 H   -6.823800      0.2846000      -1.306700    
 H    4.398100      -2.124500       1.406500    
 H    5.539800      -1.005100       1.723500    
 H   -8.777200      0.4138000     -2.3100000E-02
 H   -7.802800       1.656500      0.3864000    
 H    5.113300       2.313400      -1.248400    


%chk=000122083-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122083

0 1
O 4.888563 1.292194 -1.240854
O 5.331251 1.286538 1.036091
N -1.808064 -0.364131 -0.374215
N 4.649658 -1.370401 1.282437
N -8.019174 0.560842 0.376474
C 2.047108 -0.303993 0.006799
C 0.658586 -0.682962 -0.552515
C 3.196951 -1.004770 -0.742638
C -0.493988 0.034219 0.176813
C -2.973046 0.269731 0.281000
C -4.297048 -0.226462 -0.331785
C 4.592912 -0.808568 -0.067101
C -5.538365 0.415651 0.325375
C -6.864304 -0.080675 -0.286021
C 4.969743 0.668988 0.009172
H 2.180226 0.796541 -0.054279
H 2.111660 -0.578338 1.077643
H 0.614938 -0.438172 -1.636139
H 0.500243 -1.776022 -0.469064
H 3.006091 -2.096003 -0.773740
H 3.255348 -0.647915 -1.788724
H -0.323549 1.141969 0.134144
H -0.476559 -0.243615 1.249946
H -2.944389 0.003027 1.356647
H -2.942009 1.390046 0.232220
H -4.301247 -0.007424 -1.421742
H -4.338384 -1.328598 -0.231628
H 5.345853 -1.262381 -0.756269
H -1.838103 -0.225779 -1.395647
H -5.481260 1.520912 0.222646
H -5.555393 0.199809 1.411052
H -6.944523 -1.173790 -0.128562
H -6.828442 0.081625 -1.392936
H 4.857245 -2.365372 1.348724
H 5.088968 -0.776010 1.988397
H -8.927984 0.152791 0.136974
H -8.026312 1.582776 0.291484
H 5.155899 2.246223 -1.145579


