%chk=000210097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210097

0 1
O 3.847125 -0.103981 0.906166
O 4.074345 -1.586428 -0.786563
O -2.114203 2.582738 -1.788003
O -2.216994 0.419573 -2.333462
O -4.155003 -2.401513 -0.263582
N -2.368604 -1.183069 0.121376
N -2.968876 -2.332948 -0.280611
C 5.733683 1.056181 -0.102129
C 7.201731 1.459090 0.080694
C 5.298484 0.064770 0.971649
C -0.919640 -1.120222 0.072390
C -3.091951 0.004566 0.577649
C 1.866253 -1.000792 0.017623
C -0.209379 -1.909997 -0.850481
C -0.241861 -0.267804 0.964876
C 7.649121 2.443372 -0.996944
C 1.182120 -1.848119 -0.870823
C 1.150074 -0.212014 0.930960
C -3.119598 1.185331 -0.191759
C 3.344687 -0.967782 -0.044583
C -3.774268 -0.063228 1.800748
C -3.818684 2.301604 0.297628
C -4.477762 1.052083 2.263055
C -4.494752 2.235021 1.517146
C -2.459485 1.272789 -1.514298
H 5.080003 1.950192 -0.075363
H 5.580971 0.606353 -1.105911
H 7.350228 1.909511 1.081964
H 7.846080 0.557427 0.051199
H 5.419432 0.448771 2.000087
H 5.779802 -0.922921 0.861495
H -0.739042 -2.556522 -1.554161
H -0.788864 0.341964 1.683414
H 8.699706 2.725816 -0.863779
H 7.056009 3.364835 -0.976248
H 7.550830 2.014178 -2.001389
H 1.751765 -2.455183 -1.583176
H 1.692867 0.445272 1.618020
H -3.762146 -0.985944 2.383888
H -3.826288 3.225784 -0.290167
H -5.014375 0.996941 3.212314
H -5.038670 3.105384 1.885105
H -1.676172 2.676120 -2.678111


%chk=000210097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000210097

0 1
O 3.933994 0.048313 0.959669
O 4.125183 -1.651868 -0.632652
O -2.975117 2.708185 -2.047338
O -2.132250 0.556804 -2.223533
O -4.192247 -2.269579 -0.478624
N -2.339338 -1.061326 0.061383
N -2.921638 -2.265542 -0.451659
C 5.950224 1.105400 -0.069970
C 7.481866 1.295916 0.040700
C 5.422503 0.148552 1.007769
C -0.911668 -1.005007 0.052047
C -3.157166 0.026732 0.549559
C 1.917542 -0.910776 0.092998
C -0.163710 -1.876456 -0.785050
C -0.242487 -0.085207 0.901703
C 8.032472 2.256088 -1.035754
C 1.237992 -1.827483 -0.753198
C 1.163112 -0.036493 0.915268
C -3.353385 1.227793 -0.196149
C 3.406044 -0.900848 0.075096
C -3.805932 -0.150703 1.791317
C -4.172982 2.247221 0.355989
C -4.630150 0.865989 2.319050
C -4.806767 2.071465 1.602477
C -2.753217 1.410932 -1.550604
H 5.444006 2.085249 0.031464
H 5.696854 0.702668 -1.068542
H 7.735166 1.685070 1.048173
H 7.983235 0.311333 -0.051949
H 5.628122 0.525931 2.023682
H 5.849097 -0.863083 0.881723
H -0.685122 -2.560231 -1.456699
H -0.817789 0.581633 1.551069
H 9.126530 2.381392 -0.940988
H 7.567984 3.256452 -0.950697
H 7.821983 1.873014 -2.051608
H 1.833941 -2.485691 -1.393589
H 1.686304 0.668884 1.566176
H -3.650848 -1.085212 2.339067
H -4.309887 3.168464 -0.215443
H -5.127906 0.717790 3.283028
H -5.440495 2.866297 2.008716
H -2.575356 2.769135 -2.956176


