%chk=000157666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157666

0 1
 O    7.676600       1.686500     -0.1015000    
 N    6.634200     -0.1243000      0.1860000    
 N    6.667700       1.047200     -0.4226000    
 C  -0.9278000      0.1824000      0.2337000    
 C   -2.250500     -0.4981000     -0.1353000    
 C   0.3392000     -0.6413000     -1.8500000E-02
 C   -3.480800      0.3515000      0.1920000    
 C    1.632300      0.1185000      0.2888000    
 C   -4.802000     -0.3269000     -0.1839000    
 C    2.860900     -0.7629000      4.9300000E-02
 C   -6.031700      0.5320000      0.1208000    
 C    4.187800     -3.0500000E-02  0.2733000    
 C   -7.325400     -0.2182000     -0.2039000    
 C    5.412500     -0.8892000     -4.1000001E-02
 C   -8.556000      0.6227000      0.1354000    
 C   -9.842800     -0.1062000     -0.2172000    
 C    7.805800     -0.9432000     -0.1553000    
 H  -0.8535000       1.122600     -0.3276000    
 H  -0.9570000      0.4587000       1.295400    
 H   -2.321000      -1.454000      0.3983000    
 H   -2.244900     -0.7330000      -1.206600    
 H   0.2965000      -1.552500      0.5907000    
 H   0.3506000     -0.9624000      -1.067500    
 H   -3.406400       1.309800     -0.3365000    
 H   -3.486500      0.5807000       1.264600    
 H    1.623000      0.4591000       1.330900    
 H    1.689100       1.012100     -0.3442000    
 H   -4.879100      -1.277300      0.3587000    
 H   -4.789800     -0.5726000      -1.253000    
 H    2.816400      -1.637400      0.7101000    
 H    2.834600      -1.142000     -0.9800000    
 H   -6.026600      0.8122000       1.181200    
 H   -5.984200       1.460900     -0.4599000    
 H    4.166200      0.8683000     -0.3558000    
 H    4.231000      0.3104000       1.316100    
 H   -7.358700      -1.158400      0.3600000    
 H   -7.339000     -0.4796000      -1.269100    
 H    5.351500      -1.242500      -1.079700    
 H    5.398900      -1.774100      0.6077000    
 H   -8.520500       1.572200     -0.4113000    
 H   -8.559100      0.8637000       1.204700    
 H   -9.924700      -1.047200      0.3361000    
 H   -9.885500     -0.3317000      -1.287500    
 H   -10.71000      0.5125000      3.4400001E-02
 H    7.863400      -1.159500      -1.229800    
 H    7.768700      -1.900800      0.3784000    
 H    8.747000     -0.4715000      0.1537000    


%chk=000157666-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157666

0 1
O 7.922285 1.567446 0.691760
N 6.748595 -0.268248 0.104452
N 6.753805 1.062971 0.492561
C -0.923865 0.275336 0.106682
C -2.252895 -0.463760 -0.167874
C 0.325288 -0.590599 -0.171427
C -3.504456 0.395035 0.121629
C 1.654992 0.147008 0.102767
C -4.832078 -0.347627 -0.150469
C 2.900754 -0.728555 -0.160022
C -6.085686 0.505779 0.146770
C 4.224794 0.020305 0.113752
C -7.412265 -0.240777 -0.119971
C 5.434254 -0.898739 -0.141821
C -8.666971 0.610507 0.180867
C -9.986981 -0.146400 -0.082031
C 7.980225 -1.054728 -0.073546
H -0.880183 1.193835 -0.515364
H -0.905814 0.615413 1.163393
H -2.292029 -1.386395 0.448724
H -2.274475 -0.797403 -1.226713
H 0.280030 -1.508054 0.452489
H 0.306257 -0.932308 -1.227753
H -3.467623 1.317443 -0.495225
H -3.482480 0.729079 1.180280
H 1.669717 0.497635 1.155645
H 1.706509 1.058195 -0.528612
H -4.865532 -1.272648 0.462849
H -4.856489 -0.677658 -1.210375
H 2.845652 -1.637043 0.476407
H 2.880784 -1.082384 -1.212498
H -6.059699 0.838168 1.205920
H -6.055188 1.429453 -0.468679
H 4.293199 0.918392 -0.526708
H 4.246625 0.384619 1.157291
H -7.442757 -1.165301 0.494289
H -7.441061 -0.571798 -1.179503
H 5.415696 -1.257401 -1.192889
H 5.360828 -1.799109 0.504032
H -8.638447 1.531971 -0.436195
H -8.635143 0.944490 1.238263
H -10.054958 -1.053817 0.547534
H -10.055929 -0.466791 -1.138937
H -10.868011 0.484426 0.137965
H 8.046800 -1.440301 -1.107394
H 8.001981 -1.907922 0.629392
H 8.832347 -0.385045 0.130894


