%chk=000186216.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186216

0 1
N 2.503596 -2.072245 1.530121
N -1.311305 1.770567 -0.782271
C 2.212113 0.018361 -0.361653
C 1.415636 -1.125283 -0.446638
C 2.094696 1.107913 -1.362122
C 1.599929 -2.171447 0.535678
C 3.165809 0.138121 0.687770
C 0.780925 -3.388896 0.455593
C 1.018571 2.015500 -1.346357
C 3.277666 -0.940536 1.619427
C -0.179541 -3.506840 -0.574987
C 0.406456 -1.307090 -1.476556
C -0.055517 1.919810 -0.324041
C -0.345866 -2.427959 -1.536438
C 3.085411 1.223734 -2.350335
C 4.013135 1.284525 0.865089
C -2.343173 1.678284 0.128270
C -2.109070 1.742624 1.528216
C 0.945489 3.024194 -2.320199
C -3.703743 1.511287 -0.373620
C 0.933738 -4.442179 1.386637
C 4.231344 -0.856458 2.698355
C 0.254592 1.997688 1.065176
C -0.971434 -4.675841 -0.657652
C -4.764778 1.415672 0.557556
C -0.773875 1.906850 1.979791
C 3.007928 2.233719 -3.311064
C 4.906783 1.338329 1.898316
C 1.938352 3.135098 -3.295471
C 5.018080 0.252064 2.826749
C -3.222492 1.638551 2.441752
C 0.149507 -5.582081 1.290921
C -4.488624 1.482915 1.978197
C -0.807429 -5.698836 0.264005
C -3.986647 1.441956 -1.762651
C -6.093429 1.253298 0.083180
C -5.286712 1.283763 -2.203611
C -6.347627 1.188904 -1.273477
H 0.268108 -0.494900 -2.195770
H -1.107135 -2.555158 -2.306727
H 3.914871 0.515882 -2.365764
H 3.926091 2.108517 0.155026
H 0.099768 3.714407 -2.315071
H 1.678329 -4.345029 2.182071
H 4.293020 -1.699011 3.388902
H 1.289628 2.118834 1.381801
H -1.711828 -4.764436 -1.450759
H -0.572454 1.957059 3.050652
H 3.779832 2.316637 -4.075269
H 5.552077 2.204483 2.037217
H 1.875848 3.920674 -4.047310
H 5.744903 0.333849 3.634699
H -3.010826 1.686913 3.509810
H 0.269266 -6.391572 2.008572
H -5.333389 1.402499 2.662205
H -1.417829 -6.598711 0.199721
H -3.158475 1.515363 -2.473109
H -6.907867 1.179712 0.801742
H -5.505387 1.230647 -3.268658
H -7.366045 1.064307 -1.639236


%chk=000186216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186216

0 1
N 2.860887 -2.185146 1.553928
N -1.534173 1.835926 -0.797978
C 2.289845 -0.036672 -0.281118
C 1.559840 -1.258145 -0.336959
C 2.036270 1.060694 -1.274946
C 1.880914 -2.311642 0.619283
C 3.324292 0.103897 0.702733
C 1.130307 -3.573507 0.581928
C 0.831824 1.830992 -1.318809
C 3.575488 -1.012169 1.603439
C 0.100705 -3.755144 -0.403217
C 0.518168 -1.499045 -1.317661
C -0.269869 1.702963 -0.313981
C -0.175405 -2.690792 -1.348108
C 3.030938 1.284633 -2.265258
C 4.102789 1.303237 0.864485
C -2.602786 1.755850 0.065471
C -2.430495 1.541721 1.480349
C 0.653818 2.770645 -2.371020
C -3.951283 1.890458 -0.481087
C 1.404396 -4.622054 1.505027
C 4.604633 -0.894920 2.598311
C -0.015819 1.507491 1.082972
C -0.625515 -4.982977 -0.435076
C -5.080243 1.810972 0.410548
C -1.093852 1.428263 1.967753
C 2.847887 2.233216 -3.292309
C 5.089177 1.388075 1.846339
C 1.646272 2.977136 -3.348225
C 5.348306 0.277548 2.717656
C -3.585843 1.465721 2.342021
C 0.678022 -5.822510 1.458536
C -4.862258 1.596377 1.825106
C -0.343622 -6.005339 0.483207
C -4.174543 2.095507 -1.874226
C -6.399194 1.944444 -0.124699
C -5.477124 2.223829 -2.375900
C -6.597536 2.148991 -1.496215
H 0.289859 -0.714301 -2.044834
H -0.959000 -2.850626 -2.098188
H 3.945934 0.682694 -2.234755
H 3.908508 2.155383 0.205113
H -0.285171 3.331704 -2.398098
H 2.194012 -4.458465 2.243662
H 4.770079 -1.757119 3.251612
H 1.010285 1.447750 1.451641
H -1.410735 -5.116635 -1.188597
H -0.921181 1.285980 3.040700
H 3.629404 2.381527 -4.045532
H 5.671565 2.309296 1.958015
H 1.487224 3.712076 -4.144917
H 6.130115 0.359575 3.480838
H -3.431375 1.302256 3.415215
H 0.896611 -6.622817 2.174017
H -5.736392 1.537623 2.484440
H -0.907508 -6.944245 0.451852
H -3.300292 2.144084 -2.529659
H -7.256771 1.883871 0.556021
H -5.638922 2.380718 -3.448025
H -7.612467 2.250150 -1.896418


