%chk=000170510.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170510

0 1
 O    1.933200      -3.554400     -0.5824000    
 N   0.3620000      0.6625000      0.3049000    
 N   -2.444500       4.625600     -0.1584000    
 C  -8.9000002E-02 -0.6119000      8.8000000E-02
 C    1.736400      0.6983000      0.2350000    
 C    2.168000     -0.6020000     -3.5900000E-02
 C    1.005500      -1.417600     -0.1260000    
 C  -0.4768000       1.814700      0.5706000    
 C   -1.496100     -0.9547000      0.1019000    
 C    2.621400       1.771100      0.3894000    
 C    3.550300     -0.8458000     -0.1592000    
 C  -0.9059000       2.560400     -0.6936000    
 C    3.987900       1.505200      0.2629000    
 C    4.447300      0.2176000     -7.1000000E-03
 C   0.9495000      -2.829600     -0.3902000    
 C   -2.101100      -1.342900       1.294100    
 C   -2.235200     -0.8948000      -1.076300    
 C   -3.455900      -1.674100       1.308100    
 C   -3.590100      -1.226000      -1.062100    
 C   -4.200500      -1.615600      0.1302000    
 C   -1.766200       3.714100     -0.3936000    
 H   -1.351800       1.485800       1.142800    
 H   6.9799997E-02   2.483800       1.246100    
 H    2.276500       2.778600      0.5949000    
 H    3.932200      -1.840400     -0.3694000    
 H   -1.436300       1.885700      -1.373500    
 H  -1.7899999E-02   2.904900      -1.237400    
 H    4.702300       2.316700      0.3759000    
 H    5.514600      3.5700001E-02 -0.1013000    
 H  -5.6600001E-02  -3.280700     -0.4197000    
 H   -1.533900      -1.393100       2.220300    
 H   -1.773100     -0.5967000      -2.014200    
 H   -3.931300      -1.977400       2.236300    
 H   -4.169700      -1.181100      -1.979500    
 H   -5.255400      -1.873600      0.1411000    


%chk=000170510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170510

0 1
O 1.954663 -3.467050 -1.083354
N 0.314807 0.651209 0.470050
N -2.054617 4.926701 -0.019692
C -0.139405 -0.620318 0.075577
C 1.721511 0.708579 0.314711
C 2.162328 -0.562596 -0.174561
C 0.977257 -1.396743 -0.321967
C -0.508353 1.834937 0.741955
C -1.568152 -1.005458 0.109998
C 2.613168 1.772519 0.569797
C 3.543207 -0.784580 -0.403534
C -0.679712 2.706435 -0.543379
C 3.983363 1.533433 0.330483
C 4.441224 0.272210 -0.148833
C 0.939132 -2.800273 -0.713397
C -2.336823 -0.885535 1.302245
C -2.191174 -1.532984 -1.054814
C -3.693097 -1.273937 1.324117
C -3.547920 -1.922491 -1.029328
C -4.304618 -1.790942 0.157793
C -1.438248 3.935836 -0.267965
H -1.499154 1.521251 1.102084
H -0.031604 2.430243 1.539633
H 2.276394 2.743484 0.949076
H 3.881942 -1.756501 -0.771307
H -1.206467 2.118522 -1.317659
H 0.312439 2.974360 -0.951319
H 4.707984 2.332785 0.520565
H 5.512951 0.125230 -0.321015
H -0.063525 -3.288993 -0.657589
H -1.858297 -0.531293 2.223022
H -1.612868 -1.617292 -1.981288
H -4.268047 -1.184766 2.252077
H -4.013282 -2.325188 -1.935354
H -5.357408 -2.092495 0.175870


