%chk=000250833.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250833

0 1
N 4.463140 2.299003 0.026685
N -5.062642 1.051845 0.720831
N 0.000406 -2.492236 -0.964907
N 1.193706 -3.094081 -1.307152
N 0.145470 -5.336066 -1.116229
N 2.321216 -5.014016 -2.075652
C 3.402730 1.381136 -0.095321
C -3.840388 0.461428 0.351052
C 5.645606 2.201631 -0.874356
C 4.710366 2.993854 1.315940
C -6.144306 0.229083 1.320055
C -5.514390 2.313758 0.070682
C 1.180954 -0.339927 -0.421646
C -1.313481 -0.660403 -0.249258
C 0.014840 -1.240256 -0.577718
C 3.269321 0.583258 -1.259510
C -3.514242 -0.854036 0.768185
C 2.400561 1.294634 0.905597
C -2.873463 1.200888 -0.378892
C 2.177169 -0.265100 -1.408488
C -2.270187 -1.397759 0.467041
C 1.310266 0.450715 0.732562
C -1.634510 0.642446 -0.667274
C 5.504796 3.190745 -2.032922
C 5.391822 2.110017 2.362169
C -6.901039 -0.617881 0.295448
C -5.164357 3.513480 0.952862
C 1.164350 -4.409192 -1.483825
H 6.576696 2.413903 -0.303941
H 5.757459 1.164833 -1.267744
H 5.329286 3.895740 1.108235
H 3.736646 3.370762 1.708856
H -5.699197 -0.426612 2.105248
H -6.844612 0.913410 1.850172
H -5.047463 2.428466 -0.934831
H -6.612303 2.278059 -0.105121
H 4.015087 0.627737 -2.047688
H -4.229471 -1.447220 1.330692
H 2.471956 1.890731 1.810569
H -3.089329 2.212011 -0.712412
H 2.092801 -0.882938 -2.306206
H -2.032525 -2.413216 0.790456
H 0.543006 0.397510 1.507746
H -0.898577 1.223300 -1.227804
H 4.586118 3.006593 -2.606059
H 5.445785 4.225140 -1.674415
H 6.352058 3.118232 -2.721727
H 4.806567 1.202178 2.562725
H 6.385746 1.782411 2.039142
H 5.510639 2.641280 3.312378
H -7.413891 -0.000471 -0.449918
H -6.222222 -1.283519 -0.254904
H -7.655635 -1.245806 0.780922
H -5.655602 3.451236 1.931072
H -4.084873 3.564683 1.148831
H -5.466089 4.453921 0.481349
H -0.757860 -4.902610 -0.926716
H 0.044744 -6.145971 -1.716960
H 2.649605 -5.844830 -1.592258
H 3.091137 -4.359310 -2.214845


%chk=000250833-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250833

0 1
N 4.711634 2.185280 0.047758
N -5.211364 0.926561 0.597825
N 0.037358 -2.498095 -0.923090
N 1.285080 -3.136544 -1.156145
N -0.160421 -4.995394 -1.656204
N 2.202537 -5.163555 -1.885250
C 3.586617 1.358771 -0.100606
C -3.931046 0.413189 0.332708
C 5.899293 2.037082 -0.813352
C 4.761078 3.246125 1.071019
C -6.263607 0.096227 1.212485
C -5.570754 2.316115 0.260114
C 1.262081 -0.354330 -0.410088
C -1.285558 -0.649137 -0.217116
C 0.054496 -1.219239 -0.541501
C 3.490500 0.403933 -1.164427
C -3.613455 -0.966775 0.556467
C 2.479898 1.428507 0.805381
C -2.878968 1.242753 -0.172171
C 2.372057 -0.434525 -1.297957
C -2.331071 -1.471081 0.288024
C 1.354396 0.603471 0.639445
C -1.600553 0.720060 -0.437543
C 5.814460 2.837732 -2.135614
C 5.255528 2.756103 2.453869
C -7.065788 -0.747108 0.191388
C -5.208692 3.339683 1.363816
C 1.085235 -4.402793 -1.554226
H 6.781529 2.375917 -0.236740
H 6.067766 0.965450 -1.028283
H 5.435840 4.042603 0.702518
H 3.762436 3.711628 1.167832
H -5.814894 -0.561584 1.980179
H -6.955110 0.769945 1.753852
H -5.090104 2.600910 -0.694595
H -6.661593 2.349379 0.075038
H 4.293846 0.318164 -1.902193
H -4.374244 -1.655136 0.937131
H 2.500265 2.116494 1.655733
H -3.052388 2.306993 -0.357176
H 2.345316 -1.166285 -2.108162
H -2.113967 -2.528950 0.469851
H 0.532185 0.684654 1.359261
H -0.829951 1.388077 -0.837695
H 4.946786 2.515750 -2.737219
H 5.702510 3.918500 -1.932545
H 6.730908 2.694010 -2.738595
H 4.597104 1.964139 2.850612
H 6.277051 2.340525 2.379823
H 5.275182 3.590964 3.179694
H -7.563994 -0.094134 -0.548193
H -6.401083 -1.434672 -0.359431
H -7.843384 -1.345600 0.702554
H -5.725479 3.093808 2.309379
H -4.122957 3.338976 1.562518
H -5.508148 4.361392 1.062756
H -0.920821 -4.343035 -1.435527
H -0.324595 -5.815788 -2.232585
H 2.174168 -6.177493 -1.804637
H 3.098247 -4.692014 -1.769365


