%chk=000191359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191359

0 1
O -0.278656 3.496547 -0.856446
O 1.825461 -3.806170 -0.190916
O -1.490436 0.953005 -0.688223
O 1.701978 -0.995281 -0.613814
N -0.278610 1.940092 2.505059
N 0.082053 -1.808422 2.387673
C 0.134298 0.578390 2.982706
C -0.577730 -0.490370 2.125144
C 0.265109 2.241021 1.144392
C 0.177445 -2.631140 1.143069
C -0.835606 2.981290 0.354172
C 1.680742 -2.853364 0.867303
C 0.135755 2.984651 3.488510
C -0.592826 -2.552630 3.489136
C -2.049790 2.088341 0.042087
C 2.433764 -1.558945 0.518677
C -2.342061 -0.063513 -1.055865
C 2.220147 0.131415 -1.214632
C -3.715949 -0.110598 -0.791599
C 3.402697 0.780785 -0.841971
C -1.678901 -1.101852 -1.743598
C 1.419755 0.596108 -2.279074
C -4.435277 -1.228289 -1.231409
C 3.792029 1.913831 -1.567185
C -2.420972 -2.198069 -2.167956
C 1.836097 1.719235 -2.985042
C -3.799313 -2.267484 -1.912784
C 3.020979 2.383039 -2.631735
H -0.173793 0.471647 4.044395
H 1.233714 0.418813 2.957407
H -0.478897 -0.224985 1.040571
H -1.666083 -0.487766 2.337721
H 0.529468 1.301110 0.600479
H 1.187471 2.858333 1.149192
H -0.318942 -3.620340 1.229431
H -0.292698 -2.133994 0.263924
H -1.174998 3.903700 0.882690
H 2.179463 -3.360340 1.728146
H -0.172696 3.975893 3.119448
H 1.214812 3.019172 3.699681
H -0.398552 2.812210 4.436850
H -0.576984 -1.933575 4.400623
H -1.636567 -2.834644 3.284501
H -0.021442 -3.469343 3.707252
H -2.773262 2.598216 -0.615118
H -2.525686 1.723177 0.970054
H 3.470286 -1.768325 0.204892
H 2.399808 -0.834334 1.351997
H 0.022997 2.757343 -1.438087
H 1.542915 -3.413538 -1.046599
H -4.224293 0.689382 -0.265745
H 4.015923 0.426735 -0.021327
H -0.604797 -1.017193 -1.932150
H 0.493362 0.068982 -2.521169
H -5.506701 -1.282225 -1.036732
H 4.711075 2.432159 -1.292410
H -1.929063 -3.010137 -2.703852
H 1.237553 2.087558 -3.819261
H -4.368975 -3.129546 -2.249254
H 3.333696 3.263733 -3.187328


%chk=000191359-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191359

0 1
O -0.110269 3.486941 -0.854926
O 1.801332 -4.077550 -0.272961
O -1.565470 0.946921 -0.682105
O 1.899378 -1.294771 -0.839483
N -0.539716 1.871701 2.567061
N 0.459658 -1.779769 2.440871
C 0.034986 0.613679 3.113421
C -0.454583 -0.620411 2.314183
C 0.112865 2.299750 1.304750
C 0.428387 -2.735760 1.309201
C -0.847269 3.026259 0.330419
C 1.856592 -3.068237 0.796959
C -0.607297 2.959053 3.565649
C 0.425635 -2.425597 3.766302
C -2.068759 2.185400 -0.054575
C 2.619905 -1.820702 0.344358
C -2.507220 0.022433 -1.163501
C 2.333800 -0.071490 -1.381297
C -3.908345 0.236183 -1.159361
C 3.445943 0.659790 -0.894169
C -1.970023 -1.185618 -1.677450
C 1.573714 0.425319 -2.470435
C -4.761508 -0.763467 -1.683020
C 3.782038 1.893819 -1.499195
C -2.834259 -2.169987 -2.195490
C 1.920043 1.658410 -3.059776
C -4.236263 -1.965880 -2.204414
C 3.024880 2.403355 -2.576003
H -0.272706 0.535026 4.173171
H 1.153579 0.617476 3.095262
H -0.505482 -0.343386 1.247924
H -1.499148 -0.863966 2.629758
H 0.506567 1.409606 0.783498
H 0.980551 2.976085 1.490329
H -0.065566 -3.695201 1.575907
H -0.147138 -2.299031 0.473573
H -1.222085 3.960411 0.788101
H 2.438029 -3.549499 1.604460
H -1.105064 3.844334 3.131206
H 0.397944 3.284126 3.934230
H -1.204794 2.631635 4.435075
H 0.687344 -1.697752 4.555041
H -0.575917 -2.858376 4.014574
H 1.167733 -3.242544 3.809687
H -2.689111 2.746819 -0.780237
H -2.652976 1.931460 0.851255
H 3.657129 -2.077843 0.054768
H 2.608854 -1.075265 1.162301
H 0.260949 2.694827 -1.327632
H 1.499717 -3.613804 -1.097196
H -4.338184 1.158073 -0.758017
H 4.045004 0.284911 -0.059814
H -0.885406 -1.332978 -1.653248
H 0.720383 -0.153566 -2.834973
H -5.844477 -0.594876 -1.680077
H 4.640025 2.458441 -1.117512
H -2.412983 -3.101480 -2.590135
H 1.330111 2.034563 -3.902762
H -4.904956 -2.733350 -2.607662
H 3.284192 3.364851 -3.029965


