%chk=000161288.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161288

0 1
 N   -1.981200     -2.0199999E-02  4.7499999E-02
 N    3.464800       1.243000      0.5198000    
 C  -0.6123000      0.2973000      0.1664000    
 C   -2.992800       1.027400     -0.1025000    
 C   -2.442100      -1.409600      6.8000004E-02
 C  -0.2007000       1.629900      0.1424000    
 C   0.3302000     -0.7212000      0.3076000    
 C    2.097700      0.9259000      0.4012000    
 C    1.153300       1.943900      0.2598000    
 C    1.684200     -0.4071000      0.4250000    
 C   -3.556200       1.545200       1.032600    
 C   -2.526100      -2.077600      -1.123900    
 C   -3.318800       1.432000      -1.368900    
 C   -2.762800      -1.964300       1.277600    
 C    4.640000      0.5589000      0.1450000    
 C   -4.519300       2.544000      0.8904000    
 C   -2.964100      -3.401700      -1.104700    
 C   -4.281800       2.430900      -1.511100    
 C   -3.201000      -3.288400       1.296900    
 C   -4.882200       2.986900     -0.3815000    
 C   -3.301600      -4.007200      0.1057000    
 C    5.814600      0.7394000      0.8752000    
 C    4.627600     -0.2987000     -0.9550000    
 C    6.976700      6.2300000E-02  0.5056000    
 C    5.789600     -0.9757000      -1.324700    
 C    6.964300     -0.7953000     -0.5944000    
 H  -0.8917000       2.460100      3.4600001E-02
 H   6.3699998E-02  -1.773000      0.3370000    
 H    1.462100       2.986100      0.2389000    
 H    2.393800      -1.219500      0.5563000    
 H   -3.274500       1.206000       2.024200    
 H   -2.261300      -1.611500      -2.067500    
 H   -2.851800       1.004600      -2.250300    
 H   -2.682700      -1.410000       2.207100    
 H    3.639400       2.141700      0.9609000    
 H   -4.986000       2.977700       1.770100    
 H   -3.041400      -3.961600      -2.032200    
 H   -4.563600       2.776500      -2.501500    
 H   -3.462800      -3.760100       2.239500    
 H   -5.631700       3.765000     -0.4923000    
 H   -3.642100      -5.038300      0.1208000    
 H    5.836700       1.404100       1.735000    
 H    3.733400     -0.4416000      -1.555400    
 H    7.891400      0.2028000       1.074200    
 H    5.781600      -1.639600      -2.184100    
 H    7.869400      -1.321600     -0.8829000    


%chk=000161288-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161288

0 1
N -2.065302 -0.015578 -0.036879
N 3.490584 1.335575 -0.142345
C -0.662913 0.313136 -0.059802
C -3.028661 1.007463 0.251457
C -2.478975 -1.360460 -0.319487
C -0.200343 1.488481 -0.708008
C 0.290474 -0.530225 0.567512
C 2.131288 0.946191 -0.120662
C 1.170703 1.798515 -0.736982
C 1.664279 -0.225779 0.538920
C -2.730070 2.033618 1.190669
C -1.785367 -2.136568 -1.289190
C -4.290828 1.023810 -0.405383
C -3.576735 -1.945071 0.371504
C 4.655115 0.546160 -0.002666
C -3.671416 3.048631 1.460524
C -2.181578 -3.463516 -1.555977
C -5.229355 2.036666 -0.119399
C -3.972093 -3.268973 0.088607
C -4.929264 3.058521 0.812542
C -3.278730 -4.040619 -0.874023
C 5.869369 1.199592 0.357637
C 4.682979 -0.854065 -0.260157
C 7.072593 0.474104 0.461317
C 5.892524 -1.570431 -0.141283
C 7.094997 -0.920358 0.221574
H -0.919789 2.152500 -1.197753
H -0.052680 -1.427205 1.093438
H 1.508250 2.701061 -1.261841
H 2.366229 -0.871631 1.072804
H -1.764504 2.026399 1.706411
H -0.943043 -1.694039 -1.830511
H -4.526937 0.247878 -1.140410
H -4.109820 -1.362179 1.129384
H 3.656190 2.333327 -0.284563
H -3.424457 3.828167 2.190398
H -1.637385 -4.044428 -2.309474
H -6.194883 2.034262 -0.638170
H -4.817798 -3.703572 0.633819
H -5.659497 3.845639 1.028429
H -3.586255 -5.069937 -1.086988
H 5.860785 2.277716 0.563782
H 3.776874 -1.371431 -0.586683
H 7.994005 0.998455 0.739106
H 5.894765 -2.646719 -0.349102
H 8.028576 -1.485283 0.310307


