%chk=000227511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227511

0 1
N 0.277119 -0.580908 -1.197777
N 0.338615 0.557629 -1.965848
N 1.522399 -1.486282 0.780216
N 3.335058 -0.011472 1.505487
N 3.836273 2.038949 0.468052
C -1.871133 -1.505047 -0.323232
C -2.781643 -0.287567 -0.516393
C -0.780052 -1.597974 -1.399120
C -3.856981 -0.215963 0.575155
C -4.771879 1.001449 0.380517
C 1.247741 -0.554136 -0.197968
C 1.979748 0.677204 -0.383474
C -5.843798 1.081190 1.465112
C 1.355905 1.319155 -1.505359
C 3.051195 0.911523 0.523851
C 2.562855 -1.148558 1.577472
H -1.404594 -1.480047 0.684937
H -2.470913 -2.436971 -0.345643
H -3.256863 -0.323518 -1.515820
H -2.174308 0.640257 -0.511589
H -1.211687 -1.466681 -2.419451
H -0.292268 -2.602187 -1.362420
H -4.461879 -1.142854 0.574845
H -3.379854 -0.169353 1.573382
H -4.167592 1.929994 0.383169
H -5.251619 0.956791 -0.616833
H -5.401446 1.165301 2.464377
H -6.490787 1.953322 1.318747
H -6.485584 0.192912 1.465194
H 1.621918 2.262998 -1.951580
H 2.832878 -1.854961 2.381508
H 4.588250 2.170293 1.127703
H 3.679923 2.748514 -0.222318


%chk=000227511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000227511

0 1
N 0.284136 -0.577073 -1.108748
N 0.253840 0.595967 -1.877067
N 1.644154 -1.531284 0.711306
N 3.478303 -0.048631 1.402698
N 3.898095 2.046533 0.449027
C -1.896600 -1.535175 -0.292557
C -2.785864 -0.286844 -0.483410
C -0.722213 -1.633697 -1.293512
C -3.922096 -0.201644 0.559734
C -4.837760 1.028515 0.361814
C 1.318456 -0.553915 -0.191846
C 2.001903 0.693861 -0.374338
C -5.958419 1.122866 1.419403
C 1.292887 1.356358 -1.430326
C 3.127614 0.909935 0.486094
C 2.729605 -1.196931 1.461070
H -1.488436 -1.562654 0.736692
H -2.512076 -2.450339 -0.411212
H -3.220470 -0.297648 -1.504689
H -2.162700 0.627311 -0.426368
H -1.083134 -1.547226 -2.332753
H -0.203904 -2.601132 -1.170923
H -4.537100 -1.125413 0.515982
H -3.482756 -0.169905 1.578883
H -4.219998 1.949290 0.391906
H -5.285548 0.989214 -0.652259
H -5.535393 1.198325 2.439016
H -6.599267 2.008337 1.253011
H -6.606542 0.226378 1.391983
H 1.467447 2.325386 -1.895544
H 3.050454 -1.931500 2.206004
H 4.681219 2.112538 1.097157
H 3.707161 2.803198 -0.201332


