%chk=000180749.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180749

0 1
O 2.921840 2.637696 -1.255871
O -0.420630 -2.886488 -0.055766
O 2.303862 -3.874615 0.297947
O -4.337631 -0.891956 0.592785
O -4.639985 1.760112 -0.558439
N 2.622788 2.572052 0.002414
C 1.344586 1.722166 0.257809
C 1.592174 0.229816 0.219400
C 3.782590 1.967801 0.820001
C 0.287118 2.088078 -0.800694
C 4.089929 0.575610 0.275642
C 2.884065 -0.317147 0.290954
C 0.461051 -0.613328 0.105297
C -0.971043 1.324659 -0.518393
C 2.368650 3.981738 0.550820
C -0.876027 0.004163 -0.016179
C 3.064483 -1.701805 0.327144
C 0.654778 -2.007937 0.073040
C 1.951772 -2.552140 0.229659
C -2.222327 1.915439 -0.714683
C -2.041512 -0.672704 0.361598
C -3.384797 1.213692 -0.375161
C -3.301702 -0.081830 0.184366
C -0.882793 -3.024419 -1.430907
C 1.258532 -4.874780 0.414061
C -5.682975 -0.358635 0.501146
H 0.965242 1.977820 1.282894
H 3.518587 1.934481 1.893822
H 4.670926 2.623961 0.701257
H 0.692269 1.840888 -1.815054
H 0.115260 3.180687 -0.830270
H 4.940835 0.130602 0.826065
H 4.421991 0.676457 -0.792565
H 2.174961 3.992115 1.626894
H 3.239191 4.618708 0.323878
H 1.518175 4.436944 0.018593
H 4.055691 -2.143759 0.414426
H -2.295071 2.918363 -1.127269
H -1.987166 -1.679749 0.795476
H -1.211103 -2.055740 -1.820432
H -1.727940 -3.712028 -1.321187
H -0.088360 -3.448904 -2.049286
H -4.579257 2.659246 -0.968274
H 0.513578 -4.579710 1.161334
H 1.828346 -5.755731 0.731050
H 0.791481 -5.022747 -0.562989
H -5.933752 -0.151044 -0.544341
H -5.773749 0.545266 1.111578
H -6.278832 -1.183962 0.906309


%chk=000180749-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180749

0 1
O 3.007683 2.671086 -1.232866
O -0.525507 -2.882140 -0.392721
O 2.095394 -3.957749 -0.175111
O -4.584759 -0.802486 0.067508
O -4.736367 1.946649 -0.805417
N 2.589413 2.574629 0.124041
C 1.278113 1.737371 0.258327
C 1.524467 0.231890 0.133225
C 3.688241 1.896314 0.972223
C 0.273203 2.178036 -0.817062
C 4.039631 0.568613 0.312022
C 2.822881 -0.329129 0.197910
C 0.369253 -0.599874 -0.061715
C -1.019304 1.414146 -0.602515
C 2.364789 3.974591 0.683176
C -0.968037 0.043332 -0.201888
C 2.985201 -1.730152 0.118267
C 0.567871 -2.007830 -0.167461
C 1.870322 -2.567829 -0.047206
C -2.267786 2.041791 -0.784220
C -2.193657 -0.629337 0.049043
C -3.480656 1.347346 -0.577008
C -3.443305 -0.002423 -0.127532
C -0.581253 -3.421240 -1.773086
C 1.450901 -4.802760 0.856869
C -5.668127 -0.254083 0.908810
H 0.872534 1.966011 1.267720
H 3.310183 1.767577 2.005232
H 4.543888 2.590688 0.963115
H 0.741969 1.975902 -1.799540
H 0.082656 3.263910 -0.769749
H 4.849613 0.071002 0.875217
H 4.413889 0.811619 -0.702014
H 2.090125 3.947198 1.753913
H 3.306613 4.520848 0.531468
H 1.577606 4.456582 0.088435
H 3.978446 -2.186855 0.179832
H -2.296682 3.092431 -1.106078
H -2.194699 -1.670971 0.372020
H -0.716010 -2.595839 -2.496323
H -1.457908 -4.086450 -1.795161
H 0.340790 -3.986111 -2.001062
H -4.619543 2.853619 -1.183164
H 1.868572 -4.566757 1.854546
H 1.702372 -5.838708 0.582388
H 0.357044 -4.654571 0.859149
H -6.100739 0.654682 0.459414
H -5.291578 -0.030294 1.926262
H -6.419646 -1.056872 0.958666


