%chk=000217329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217329

0 1
N -1.643656 -0.032762 -0.126883
N 4.932257 1.993972 0.605109
C -4.104176 -0.371585 -0.158092
C -3.138855 1.935481 -0.371922
C -2.763028 -0.866457 0.408307
C -1.807515 1.417459 0.196578
C -4.322896 1.114017 0.151188
C -0.339086 -0.580490 -0.139635
C 0.792298 0.256348 -0.292745
C -0.146020 -1.984447 -0.107505
C 2.068884 -0.294929 -0.423976
C 3.259395 0.612279 -0.589494
C 2.248748 -1.686208 -0.390186
C 1.134355 -2.514600 -0.236451
C 3.830416 1.002546 0.785310
H -2.781147 -0.840693 1.520221
H -2.604943 -1.928697 0.108106
H -0.964568 1.991112 -0.255663
H -1.765123 1.587084 1.295076
H -4.927540 -0.980248 0.258115
H -4.121379 -0.529850 -1.255567
H -3.110850 1.885409 -1.479397
H -3.260871 3.002627 -0.110943
H -5.264183 1.465045 -0.311167
H -4.441086 1.264556 1.241018
H 0.671293 1.337374 -0.327322
H -0.996695 -2.652966 -0.001014
H 2.982610 1.532412 -1.148131
H 4.038487 0.126023 -1.209098
H 3.239491 -2.115590 -0.486094
H 1.268757 -3.596492 -0.215294
H 3.034803 1.488442 1.395277
H 4.142446 0.088409 1.335521
H 5.674291 1.607427 0.030013
H 5.344888 2.227793 1.503038


%chk=000217329-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217329

0 1
N -1.674536 -0.018180 -0.163794
N 5.027782 1.815089 0.966502
C -4.118113 -0.429063 0.219120
C -3.319116 1.785221 -0.689299
C -2.674875 -0.719479 0.678759
C -1.881894 1.442380 -0.235900
C -4.378928 1.093062 0.194403
C -0.360380 -0.544818 -0.271194
C 0.790795 0.299076 -0.299238
C -0.149851 -1.952549 -0.405309
C 2.097431 -0.220356 -0.467188
C 3.295721 0.717378 -0.441940
C 2.276926 -1.619518 -0.597122
C 1.149011 -2.471565 -0.560665
C 3.897055 0.865048 0.981318
H -2.564360 -0.392551 1.742281
H -2.480961 -1.802344 0.655746
H -1.170303 1.865588 -0.965230
H -1.678600 1.926858 0.751460
H -4.825326 -0.937427 0.902569
H -4.268230 -0.848832 -0.794597
H -3.446947 1.454661 -1.738538
H -3.446941 2.884715 -0.668201
H -5.396906 1.310399 -0.180003
H -4.321644 1.493280 1.228180
H 0.682996 1.381384 -0.170988
H -1.002634 -2.638355 -0.432053
H 3.022873 1.728558 -0.795184
H 4.087204 0.337513 -1.119735
H 3.282662 -2.034215 -0.733942
H 1.278766 -3.554347 -0.676026
H 3.117794 1.266524 1.656182
H 4.157289 -0.152525 1.361255
H 5.808308 1.519790 0.370419
H 5.347733 2.109399 1.894248


