%chk=000154358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154358

0 1
 O   -2.673100       2.095600     -0.3713000    
 N   -5.729000      -1.267000      0.2011000    
 N   -2.255700     -0.1752000     -0.5840000    
 N   0.3473000      0.2994000     -0.1949000    
 N    1.982700      -1.891800     -0.2629000    
 C   -4.345900     -0.8946000      0.4695000    
 C   -3.622600     -0.5747000     -0.8304000    
 C    1.675200      0.4473000     -7.8999996E-03
 C    2.233200       1.724900      0.2233000    
 C    2.508400     -0.6689000     -4.2599998E-02
 C    3.898200     -0.5059000      0.1540000    
 C  -0.4457000       1.394800     -0.1579000    
 C    3.609700       1.874300      0.4166000    
 C    1.378900       2.835600      0.2546000    
 C    4.439300      0.7628000      0.3820000    
 C   -1.862500       1.151300     -0.3673000    
 C   1.5900001E-02   2.674600      6.1500002E-02
 C   -6.427500     -0.1878000     -0.5000000    
 C   -6.425900      -1.597000       1.445900    
 C    4.719900      -1.640700      0.1154000    
 C    4.171500      -2.893200     -0.1115000    
 C    2.807500      -2.963800     -0.2932000    
 H   -3.825100      -1.723700      0.9660000    
 H   -4.290100     -3.5300002E-02   1.151600    
 H   -4.084800      0.2456000      -1.385600    
 H   -3.588400      -1.453500      -1.483900    
 H   -1.547000     -0.9032000     -0.5684000    
 H    4.046000       2.854400      0.5950000    
 H    1.772100       3.834500      0.4301000    
 H    5.507900      0.8956000      0.5341000    
 H  -0.6391000       3.538200      8.7399997E-02
 H   -6.119000     -0.1133000      -1.547200    
 H   -7.504000     -0.3954000     -0.5424000    
 H   -6.298700      0.7845000     -1.0400000E-02
 H   -7.446700      -1.937100       1.238200    
 H   -5.921500      -2.421500       1.962200    
 H   -6.478200     -0.7419000       2.129600    
 H    5.794300      -1.554700      0.2623000    
 H    4.791800      -3.780800     -0.1444000    
 H    2.318100      -3.915000     -0.4748000    


%chk=000154358-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154358

0 1
O -2.649663 2.474748 -0.654578
N -5.705977 -1.271129 0.132884
N -2.280673 0.152727 -0.707990
N 0.327305 0.462347 -0.261215
N 1.815032 -1.904474 -0.080821
C -4.322703 -0.800295 0.369740
C -3.675405 -0.238279 -0.922425
C 1.679805 0.542252 -0.047971
C 2.350200 1.814927 0.087043
C 2.462314 -0.692465 0.045291
C 3.885786 -0.595935 0.267097
C -0.391384 1.606905 -0.343791
C 3.775851 1.860635 0.308142
C 1.558015 3.002479 -0.005336
C 4.517028 0.697353 0.394463
C -1.881697 1.460527 -0.580432
C 0.180587 2.906217 -0.220573
C -6.669570 -0.166784 -0.062712
C -6.165480 -2.216758 1.170556
C 4.631404 -1.811718 0.354727
C 3.969144 -3.037328 0.225469
C 2.558633 -3.029652 0.008862
H -3.722684 -1.663872 0.715647
H -4.266592 -0.018607 1.169217
H -4.211126 0.662755 -1.266383
H -3.738094 -1.008395 -1.712704
H -1.528375 -0.544107 -0.613026
H 4.260955 2.838945 0.406761
H 2.044033 3.979700 0.094514
H 5.599976 0.737862 0.562291
H -0.478269 3.774881 -0.299340
H -6.363233 0.469995 -0.909305
H -7.664298 -0.584859 -0.299726
H -6.771811 0.487457 0.840312
H -7.162872 -2.607649 0.898935
H -5.469106 -3.072060 1.232023
H -6.243173 -1.759100 2.190018
H 5.713791 -1.769384 0.522567
H 4.507701 -3.987929 0.287178
H 2.012025 -3.974533 -0.096011


