%chk=000224089.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224089

0 1
O 0.041140 4.205174 0.927589
O -4.818241 -1.857131 0.402445
O -4.485096 0.042373 -0.576290
N 0.835949 1.818564 -0.411811
N -4.091613 -0.992275 -0.060931
C 0.738535 0.433504 -0.941147
C -0.412900 -0.445073 -0.444214
C 1.962228 -0.387250 -0.533629
C 0.097066 -1.651141 0.134079
C 0.774124 1.873273 1.085254
C -0.203326 2.722002 -1.006663
C 1.564162 -1.614730 0.073652
C 1.014870 3.325387 1.526170
C 0.067069 4.153335 -0.512148
C -1.771187 -0.219618 -0.513770
C 3.301228 -0.081641 -0.703536
C -0.760610 -2.621317 0.637705
C 2.513963 -2.534921 0.496355
C -2.632282 -1.213971 0.004754
C -2.143603 -2.396830 0.571764
C 4.259440 -1.016828 -0.270285
C 3.872939 -2.222789 0.316603
H 0.696848 0.493565 -2.063401
H 1.569084 1.213813 1.496499
H -0.196161 1.510142 1.488651
H -1.241965 2.424901 -0.739119
H -0.120125 2.684554 -2.113272
H 0.831776 3.468980 2.605594
H 2.027615 3.673903 1.257483
H 1.040618 4.532654 -0.869762
H -0.744332 4.849159 -0.790030
H -2.191509 0.693570 -0.948608
H 3.604195 0.863933 -1.152328
H -0.374018 -3.540121 1.075823
H 2.219768 -3.475691 0.956347
H -2.846189 -3.142775 0.961393
H 5.318465 -0.791274 -0.396994
H 4.631275 -2.934111 0.642179


%chk=000224089-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224089

0 1
O 0.188360 4.370883 0.897957
O -4.902590 -2.088948 0.393451
O -4.602178 -0.040280 -0.565401
N 0.742136 1.829921 -0.356072
N -4.148063 -1.140560 -0.058129
C 0.685485 0.448159 -0.887816
C -0.460610 -0.481810 -0.420142
C 1.922096 -0.375971 -0.511075
C 0.077641 -1.689741 0.128125
C 0.704572 1.948464 1.123671
C -0.178855 2.805149 -0.990891
C 1.548644 -1.624504 0.064955
C 1.087274 3.384482 1.522127
C 0.229405 4.227602 -0.566424
C -1.846172 -0.292701 -0.495542
C 3.273458 -0.032593 -0.669632
C -0.774107 -2.709144 0.611265
C 2.533260 -2.552935 0.471313
C -2.681574 -1.322859 0.006739
C -2.169402 -2.521927 0.555792
C 4.263092 -0.961418 -0.259810
C 3.894530 -2.211266 0.301692
H 0.632267 0.547975 -1.992841
H 1.429230 1.238523 1.562829
H -0.306877 1.711574 1.530827
H -1.242478 2.644152 -0.692021
H -0.108616 2.709588 -2.091508
H 0.980943 3.538064 2.608600
H 2.135919 3.586652 1.214000
H 1.254499 4.444159 -0.937578
H -0.476838 4.979147 -0.956257
H -2.306967 0.598782 -0.926871
H 3.550303 0.938997 -1.091599
H -0.364450 -3.637259 1.022731
H 2.256473 -3.517075 0.911975
H -2.869577 -3.278037 0.920030
H 5.324103 -0.714466 -0.376457
H 4.674864 -2.915476 0.610388


