%chk=000151705.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151705

0 1
 O    3.396100      -2.672700      0.3663000    
 N    1.393300       2.132700      0.6325000    
 N   -3.375700      -1.774900      0.2539000    
 C  -0.2165000      0.4470000      0.6432000    
 C   0.8743000      3.5500001E-02 -0.3840000    
 C  -6.1400000E-02   1.981700      0.7578000    
 C    1.848900       1.249400     -0.4494000    
 C   -1.617100     -4.0000002E-03  0.2370000    
 C  -0.9232000       2.722000     -0.2358000    
 C    1.522500      -1.286900     -5.0000001E-02
 C    3.311400      0.9008000     -0.3376000    
 C   -2.462200      0.8274000     -0.4237000    
 C   -2.002900      -1.421500      0.6375000    
 C    1.867600       3.505800      0.5424000    
 C   -2.019700       2.168800     -0.7697000    
 C    2.847000      -1.441700      7.5900003E-02
 C    3.757700     -0.3399000     -0.1031000    
 C   -3.782200      0.3387000     -0.7969000    
 C   -4.170400     -0.8913000     -0.4448000    
 C   -3.858300      -3.083800      0.6681000    
 C    3.670800      -3.393100     -0.8198000    
 H   1.7999999E-02  1.8800000E-02   1.629500    
 H   0.4171000     -7.8100003E-02  -1.377800    
 H  -0.3638000       2.307400       1.761800    
 H    1.695700       1.742200      -1.420200    
 H  -0.6854000       3.750700     -0.4881000    
 H   0.8812000      -2.154000      7.1500003E-02
 H    4.037500       1.699000     -0.4675000    
 H   -1.324400      -2.132000      0.1568000    
 H   -1.898400      -1.525400       1.724100    
 H    2.954200       3.549300      0.6706000    
 H    1.439800       4.115300       1.346200    
 H    1.625400       3.976200     -0.4164000    
 H   -2.632600       2.747500      -1.454300    
 H    4.823300     -0.5330000     -3.6200002E-02
 H   -4.450500      0.9914000      -1.348500    
 H   -5.154900      -1.269600     -0.6954000    
 H   -4.603500      -2.976800       1.463100    
 H   -3.045100      -3.712000       1.047300    
 H   -4.318500      -3.610500     -0.1748000    
 H    4.106700      -4.356700     -0.5390000    
 H    4.397300      -2.867200      -1.449300    
 H    2.755200      -3.592100      -1.388000    


%chk=000151705-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151705

0 1
O 2.589703 -3.049370 -0.495825
N 1.417075 2.280912 0.415303
N -3.204310 -1.821080 0.261420
C -0.205227 0.566079 0.593557
C 0.701881 0.234039 -0.680875
C -0.035056 2.102012 0.698913
C 1.884206 1.248457 -0.566303
C -1.630371 0.098359 0.426563
C -1.006452 2.832095 -0.231798
C 1.094764 -1.217733 -0.791692
C 3.183086 0.634851 -0.067140
C -2.567177 0.896706 -0.202838
C -1.997749 -1.283954 0.940618
C 1.922145 3.641844 0.219220
C -2.182355 2.259687 -0.622395
C 2.345701 -1.653997 -0.450906
C 3.390105 -0.712318 -0.008065
C -3.905660 0.378916 -0.484471
C -4.157047 -0.958941 -0.268330
C -3.496218 -3.230317 0.518466
C 3.981337 -3.507350 -0.516726
H 0.274787 0.093337 1.471341
H 0.089912 0.511693 -1.559306
H -0.222469 2.459461 1.735634
H 2.064379 1.718985 -1.564928
H -0.771102 3.866961 -0.512428
H 0.344376 -1.942592 -1.125635
H 3.960404 1.331213 0.272431
H -1.155982 -1.990077 0.774193
H -2.159109 -1.266646 2.053295
H 3.026992 3.646360 0.271046
H 1.551333 4.297791 1.028029
H 1.632885 4.099832 -0.759450
H -2.894634 2.821633 -1.242067
H 4.335465 -1.102917 0.385493
H -4.673952 1.017070 -0.927280
H -5.108151 -1.423522 -0.549707
H -3.661909 -3.425873 1.601646
H -2.652924 -3.867734 0.187519
H -4.399379 -3.540848 -0.033282
H 3.921933 -4.583823 -0.740205
H 4.476733 -3.370579 0.464895
H 4.572331 -2.998220 -1.302730


