%chk=000215680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215680

0 1
N -4.680287 -0.448782 -0.432218
N -1.376390 0.035301 -0.763868
C -4.547025 0.954306 0.102752
C -5.600206 1.169101 1.217479
C -3.142602 1.187279 0.702863
C -6.059949 -0.681882 -0.984829
C -3.667560 -0.757207 -1.498234
C -7.022278 0.928341 0.702038
C -2.042788 1.310239 -0.362850
C -7.119928 -0.480571 0.108514
C -2.321701 -1.126262 -0.847863
C -0.227125 -0.304869 0.141317
C 0.995210 0.525877 -0.288244
C 2.226151 0.215927 0.587664
C 2.702751 -1.208877 0.374061
C 3.371237 1.183783 0.352968
C 2.544472 -2.152543 1.400631
C 4.246022 1.459356 1.418004
C 3.290506 -1.601352 -0.838030
C 3.589511 1.798561 -0.887930
C 2.968087 -3.471570 1.214473
C 5.315183 2.340300 1.243276
C 3.712428 -2.920541 -1.019650
C 4.660261 2.681753 -1.058344
C 3.551907 -3.859240 0.004944
C 5.524551 2.956266 0.004776
H -4.723813 1.710699 -0.706654
H -5.509077 2.192421 1.622830
H -5.389991 0.477458 2.057628
H -2.903758 0.369202 1.410787
H -3.161614 2.110771 1.311739
H -6.103534 -1.732927 -1.346042
H -6.287283 -0.027878 -1.854338
H -3.537967 0.063067 -2.235976
H -4.019344 -1.640247 -2.077067
H -7.289814 1.685533 -0.058777
H -7.751227 1.049506 1.524539
H -2.458835 1.750121 -1.298068
H -1.266005 2.027585 -0.018263
H -6.971357 -1.234097 0.908150
H -8.126649 -0.660633 -0.308985
H -2.516378 -1.600906 0.141114
H -1.811983 -1.887969 -1.480829
H -0.456933 -0.137316 1.214163
H 0.017433 -1.385839 0.037211
H 0.761841 1.607261 -0.228435
H 1.210412 0.324592 -1.356982
H 1.904056 0.331712 1.658878
H 2.092531 -1.862077 2.346407
H 4.096501 0.978894 2.383158
H 3.423818 -0.873929 -1.637361
H 2.927936 1.593267 -1.727990
H 2.842934 -4.198150 2.015294
H 5.988402 2.546852 2.073541
H 4.168901 -3.217855 -1.962279
H 4.820153 3.155748 -2.025353
H 3.881379 -4.885555 -0.138655
H 6.356724 3.643194 -0.129784


%chk=000215680-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215680

0 1
N -4.749439 -0.451362 -0.436619
N -1.408141 0.028628 -0.617523
C -4.627577 0.927140 0.126200
C -5.740592 1.158001 1.180213
C -3.243731 1.211025 0.759737
C -6.090380 -0.665314 -1.050882
C -3.672852 -0.835923 -1.392772
C -7.153172 0.915113 0.609831
C -2.069853 1.308147 -0.253700
C -7.223764 -0.489641 -0.024071
C -2.317998 -1.140769 -0.723806
C -0.196752 -0.285317 0.175924
C 1.028701 0.544470 -0.261930
C 2.298614 0.246701 0.586855
C 2.758320 -1.210307 0.402792
C 3.450839 1.230574 0.322850
C 2.533957 -2.175051 1.416633
C 4.502815 1.330179 1.272080
C 3.389758 -1.625809 -0.798465
C 3.525236 2.033237 -0.843567
C 2.925334 -3.522470 1.238389
C 5.592533 2.202499 1.066883
C 3.778497 -2.970308 -0.982810
C 4.616860 2.907655 -1.055738
C 3.547773 -3.925829 0.035491
C 5.655321 2.996903 -0.102802
H -4.773970 1.682600 -0.697929
H -5.653987 2.192939 1.565673
H -5.559366 0.469795 2.029858
H -3.028991 0.451287 1.537449
H -3.330134 2.185240 1.281788
H -6.115832 -1.690959 -1.465158
H -6.262684 0.041989 -1.906434
H -3.529653 -0.084839 -2.210005
H -4.014828 -1.767474 -1.881208
H -7.375953 1.679081 -0.164026
H -7.916346 1.027566 1.403417
H -2.446792 1.805762 -1.171703
H -1.288796 1.975916 0.153629
H -7.114821 -1.260546 0.763056
H -8.200031 -0.649785 -0.521400
H -2.546485 -1.602275 0.268330
H -1.788999 -1.908383 -1.323044
H -0.365075 -0.148523 1.277100
H 0.032716 -1.357492 0.030659
H 0.796325 1.624936 -0.184901
H 1.214869 0.330480 -1.331308
H 2.009417 0.360700 1.653260
H 2.049561 -1.869122 2.352864
H 4.466710 0.710270 2.177027
H 3.591997 -0.888050 -1.584225
H 2.727603 1.988277 -1.592571
H 2.745069 -4.253377 2.035160
H 6.391236 2.263738 1.815101
H 4.267433 -3.273172 -1.916003
H 4.653577 3.519671 -1.964522
H 3.853592 -4.968622 -0.105809
H 6.500230 3.675402 -0.266018


