%chk=000170422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170422

0 1
 O   0.6691000      0.3996000     -0.5418000    
 O   0.9632000     -0.9767000       1.316000    
 N   -5.602300      0.8102000      0.8682000    
 N   -5.526600      -1.066700     -0.5220000    
 C  -0.6781000      0.2812000     -0.3897000    
 C   -3.440100      4.0300000E-02 -7.9700001E-02
 C   -1.373100       1.193200      0.4047000    
 C   -1.364200     -0.7514000      -1.029100    
 C   -2.754100       1.072800      0.5598000    
 C   -2.745300     -0.8718000     -0.8741000    
 C    2.876100     -0.1205000      0.1787000    
 C    1.419400     -0.2969000      0.4090000    
 C    3.735300      -1.139100      0.5355000    
 C    3.324000       1.056400     -0.3852000    
 C   -4.880000     -8.5199997E-02  8.1600003E-02
 C    5.103300     -0.9737000      0.3191000    
 C    4.692000       1.221700     -0.6017000    
 C    5.581600      0.2066000     -0.2495000    
 H  -0.8440000       2.000200      0.9045000    
 H  -0.8287000      -1.464600      -1.650000    
 H   -3.244600       1.808100       1.187800    
 H   -3.248600      -1.687200      -1.386300    
 H    3.374500      -2.064000      0.9757000    
 H    2.652800       1.866000     -0.6554000    
 H    5.796000      -1.764300      0.5926000    
 H    5.065200       2.142000      -1.041500    
 H    6.646900      0.3356000     -0.4176000    
 H   -6.606600      0.7051000      0.9697000    
 H   -5.186600       1.588500       1.364400    
 H   -6.522400     -0.9884000     -0.2876000    


%chk=000170422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170422

0 1
O 0.669690 0.077742 -0.232605
O 1.295077 0.140258 2.038506
N -5.741944 -0.059941 1.022895
N -5.645836 0.534482 -1.322681
C -0.746506 0.130623 -0.079432
C -3.575483 0.209400 -0.106917
C -1.443768 0.269448 1.143300
C -1.442887 0.046799 -1.308853
C -2.855763 0.308212 1.110148
C -2.846017 0.087630 -1.319027
C 2.996916 0.025012 0.298538
C 1.604095 0.087035 0.825180
C 4.055321 0.021385 1.245827
C 3.290434 -0.027224 -1.089775
C -5.073867 0.236669 -0.170996
C 5.393718 -0.034007 0.808995
C 4.632210 -0.082122 -1.521375
C 5.685048 -0.085674 -0.575480
H -0.902266 0.350177 2.085462
H -0.870504 -0.050453 -2.236104
H -3.382214 0.461096 2.059562
H -3.413379 0.036001 -2.252657
H 3.805617 0.062898 2.311125
H 2.469386 -0.023549 -1.811172
H 6.207813 -0.036596 1.541562
H 4.858453 -0.121871 -2.592294
H 6.726009 -0.128204 -0.915059
H -6.757920 -0.016240 1.062586
H -5.251538 -0.445200 1.826608
H -6.685793 0.503215 -1.289768


