%chk=000197861.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197861

0 1
O 2.295302 1.994558 -0.742896
N -1.403067 0.157460 0.101778
C 1.056661 0.002410 -0.202497
C -0.131596 0.951583 0.065297
C 1.322317 -0.917292 1.001506
C -1.896452 -0.121118 -1.288484
C -2.447793 0.876431 0.905649
C 2.554527 -1.798885 0.773586
C -3.157512 -0.998896 -1.229840
C -3.719410 0.015978 0.996821
C -4.256868 -0.326533 -0.398128
C 2.311615 0.798718 -0.547675
C 3.799939 -0.944952 0.503983
C 3.590241 -0.003838 -0.686244
H 0.815274 -0.638333 -1.090747
H -0.136308 1.764067 -0.696606
H 0.020021 1.459346 1.042504
H 0.420879 -1.541352 1.176361
H 1.448224 -0.313173 1.920078
H -1.090942 -0.662091 -1.831452
H -2.107955 0.806992 -1.862401
H -2.696958 1.876306 0.489836
H -2.037971 1.038721 1.926172
H 2.376461 -2.489702 -0.072626
H 2.723373 -2.442750 1.657648
H -2.901196 -1.980197 -0.782711
H -3.516595 -1.204067 -2.254151
H -4.486119 0.547841 1.588207
H -3.489972 -0.919064 1.546256
H -4.612405 0.589952 -0.905595
H -5.134756 -0.993213 -0.315605
H 4.675142 -1.595175 0.314209
H 4.051631 -0.351861 1.405933
H 3.552848 -0.578139 -1.633484
H 4.452921 0.685967 -0.790182


%chk=000197861-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197861

0 1
O 2.417974 2.159185 -0.273046
N -1.408920 0.229149 0.098364
C 1.085674 0.094484 -0.234356
C -0.141126 0.999297 0.010811
C 1.275275 -0.974956 0.885693
C -1.888872 -0.228123 -1.231383
C -2.469366 0.983001 0.817748
C 2.503878 -1.871600 0.619799
C -3.132654 -1.130988 -1.099566
C -3.728707 0.116370 1.020321
C -4.260566 -0.401215 -0.335586
C 2.381976 0.901845 -0.375447
C 3.793400 -1.027955 0.491967
C 3.644428 0.069386 -0.602762
H 0.960594 -0.463457 -1.188871
H -0.183614 1.787440 -0.780200
H 0.007607 1.532312 0.968565
H 0.342585 -1.562218 0.955606
H 1.398697 -0.453480 1.857572
H -1.077092 -0.785861 -1.733891
H -2.137964 0.650467 -1.886087
H -2.753835 1.914533 0.258297
H -2.063878 1.299316 1.796919
H 2.345811 -2.448273 -0.315434
H 2.616483 -2.611771 1.435254
H -2.849911 -2.050292 -0.550570
H -3.475356 -1.433530 -2.108032
H -4.502932 0.709300 1.544468
H -3.467674 -0.743936 1.667087
H -4.619723 0.456258 -0.941926
H -5.125593 -1.074198 -0.183223
H 4.661326 -1.670335 0.250527
H 4.011917 -0.541163 1.463309
H 3.565435 -0.426537 -1.592649
H 4.518226 0.743244 -0.624777


