%chk=000271291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271291

0 1
O -2.524637 1.365883 1.882502
O -2.003653 2.910170 0.158156
O -0.301582 -3.566514 0.950158
O 1.689674 2.230524 -0.593716
O 1.044286 2.144033 1.873624
O -0.007772 0.268877 -3.600191
O -0.476742 -1.798169 -3.238606
N 0.757491 -3.436238 -1.078908
N -0.513321 -0.614127 -2.919656
C -1.580558 -1.141218 -0.688246
C 3.054077 -2.563954 -0.609402
C -1.559560 -2.625650 -0.878498
C 2.093658 -3.765083 -0.530221
C -1.158090 -0.220291 -1.665179
C 2.518139 -1.337984 0.079985
C -2.124629 0.681298 0.761868
C -2.058672 -0.676591 0.568585
C -1.769758 1.612926 -0.276060
C -0.319695 -3.231431 -0.221357
C -1.278807 1.195998 -1.478446
C 2.364658 -0.141692 -0.652896
C 2.181010 -1.375430 1.432240
C -2.323666 2.798803 1.580185
C 1.889058 0.999969 -0.015801
C 1.544328 0.954063 1.371516
C 1.690432 -0.230478 2.081997
C 2.035747 2.369367 -1.995743
C 1.100580 2.301276 3.312881
H 3.292940 -2.344627 -1.670273
H 4.025141 -2.847234 -0.148750
H -1.640184 -2.914851 -1.954173
H -2.456147 -3.091972 -0.404813
H 1.980341 -4.107793 0.527818
H 2.507838 -4.622265 -1.107130
H -2.324201 -1.386861 1.355113
H 0.738086 -3.069644 -2.034139
H -0.971579 1.893178 -2.263395
H 2.631189 -0.118285 -1.705681
H 2.274357 -2.301365 1.998764
H -1.449168 3.135222 2.158973
H -3.279534 3.308474 1.749992
H 1.422155 -0.290609 3.134002
H 1.770618 3.417800 -2.182806
H 1.429957 1.693924 -2.613257
H 3.106326 2.204184 -2.140990
H 0.356235 1.656255 3.788482
H 2.108200 2.099206 3.688310
H 0.850934 3.362227 3.434584


%chk=000271291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000271291

0 1
O -1.898647 1.697801 1.398415
O -1.634750 2.932797 -0.635128
O -0.257667 -3.679662 1.045901
O 1.635124 2.480231 -0.054780
O 1.151967 2.119961 2.521306
O -1.489456 -0.500469 -4.452242
O -0.636081 -2.341489 -3.423561
N 0.738687 -3.311218 -1.040199
N -1.190251 -1.156871 -3.379464
C -1.635761 -1.288042 -0.883037
C 3.028835 -2.338658 -0.652171
C -1.658593 -2.807058 -0.785119
C 2.113892 -3.596076 -0.612559
C -1.440762 -0.527576 -2.079627
C 2.542684 -1.183686 0.218411
C -1.769738 0.819840 0.316065
C -1.824253 -0.572153 0.335963
C -1.602207 1.547972 -0.891434
C -0.327510 -3.323876 -0.170547
C -1.460853 0.903837 -2.108267
C 2.347989 0.104679 -0.346941
C 2.272228 -1.360515 1.592533
C -1.532141 3.046069 0.846754
C 1.884662 1.185694 0.433646
C 1.614486 0.991328 1.823092
C 1.813199 -0.285975 2.388267
C 1.959580 2.741505 -1.459090
C 0.815470 1.931093 3.935095
H 3.129136 -1.998184 -1.701108
H 4.040567 -2.663480 -0.332769
H -1.834056 -3.281254 -1.762451
H -2.451924 -3.114839 -0.085664
H 2.049384 -4.000362 0.411738
H 2.551333 -4.381928 -1.258304
H -1.964471 -1.121975 1.270091
H 0.547183 -3.004153 -2.004139
H -1.356988 1.434301 -3.055981
H 2.551220 0.252308 -1.412907
H 2.388313 -2.346836 2.053374
H -0.484625 3.251484 1.127074
H -2.270573 3.780259 1.197698
H 1.601532 -0.460335 3.447034
H 1.716584 3.802201 -1.617057
H 1.348092 2.114867 -2.137090
H 3.034539 2.567260 -1.658792
H -0.003586 1.196286 4.055264
H 1.699607 1.608481 4.518107
H 0.484098 2.919717 4.286006


