%chk=000205533.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205533

0 1
O 1.539367 -1.722299 2.935818
O 2.855493 2.004369 -0.764267
N 3.239036 -0.546392 0.620718
N 4.218812 0.603734 0.421759
C 2.057537 0.080844 1.359855
C 0.993800 -0.900791 1.911684
C 0.295252 -1.750002 0.840436
C -0.861466 -2.561119 1.439234
C -2.137148 -1.738147 1.660044
C -2.848506 -1.389105 0.345974
C -4.116210 -0.561302 0.595917
C 2.854269 -0.977787 -0.781905
C 3.892562 -1.529534 1.327814
C -4.826401 -0.211690 -0.718845
C -6.095657 0.613937 -0.468472
C -6.805325 0.964172 -1.783110
C 3.950681 1.789802 -0.258403
C -8.075570 1.789631 -1.533985
C 5.099783 2.765322 -0.333641
C -8.786035 2.141371 -2.839238
C 5.564296 3.030187 -1.723912
C 5.595377 3.335616 0.763566
H 2.459595 0.649999 2.233137
H 1.569480 0.835015 0.693607
H 0.239490 -0.294627 2.478710
H 1.025982 -2.445004 0.375044
H -0.079578 -1.098980 0.026748
H -0.530988 -2.992674 2.409700
H -1.081188 -3.426263 0.785027
H -2.825378 -2.308031 2.315475
H -1.897500 -0.812661 2.218666
H -3.106135 -2.317304 -0.199436
H -2.159628 -0.831679 -0.318028
H -3.858935 0.366527 1.142349
H -4.805483 -1.119100 1.258877
H 2.318737 -0.169834 -1.317138
H 3.748092 -1.237892 -1.372483
H 2.211575 -1.876202 -0.734779
H 3.986350 -1.497564 2.392254
H 2.307807 -2.259026 2.586527
H 4.467568 -2.291235 0.855104
H -4.138399 0.348526 -1.381018
H -5.083160 -1.138984 -1.266321
H 5.142841 0.420260 0.843632
H -5.839163 1.541289 0.079183
H -6.784208 0.054082 0.193371
H -6.118267 1.524918 -2.445560
H -7.062098 0.038146 -2.332386
H -8.764955 1.229009 -0.872786
H -7.819616 2.717719 -0.986291
H -8.142818 2.730701 -3.502579
H -9.690690 2.730257 -2.651400
H -9.087640 1.242879 -3.389416
H 6.011639 2.134804 -2.178259
H 6.312782 3.832228 -1.772042
H 4.719085 3.334408 -2.365443
H 6.395102 4.063610 0.742545
H 5.235557 3.133967 1.762967


%chk=000205533-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205533

0 1
O 1.657229 -2.532828 3.699837
O 0.959654 0.819365 -0.389972
N 3.549671 -1.584585 1.401528
N 3.144385 1.393645 -0.943716
C 2.366496 -0.905522 2.043046
C 1.222460 -1.839201 2.467001
C 0.758970 -2.824177 1.375383
C -0.602492 -3.504246 1.673506
C -1.807978 -2.531305 1.758133
C -2.000117 -1.649286 0.501392
C -3.278518 -0.783581 0.561915
C 3.599499 -1.514504 0.018378
C 4.456352 -2.141673 2.230787
C -3.416967 0.165371 -0.650438
C -4.678594 1.054789 -0.595720
C -4.794840 2.027916 -1.791214
C 1.794135 1.654035 -0.890591
C -6.062098 2.911316 -1.742096
C 1.314901 2.979451 -1.450592
C -6.163474 3.889140 -2.933075
C -0.093813 2.969130 -2.003524
C 2.084757 4.100378 -1.378356
H 2.731701 -0.371589 2.936719
H 1.966006 -0.178117 1.317178
H 0.382206 -1.157862 2.725513
H 1.545120 -3.591890 1.236376
H 0.679640 -2.275970 0.419738
H -0.543716 -4.094895 2.615052
H -0.795435 -4.245925 0.872370
H -2.728135 -3.128223 1.925307
H -1.708624 -1.875990 2.648024
H -2.038420 -2.298975 -0.398803
H -1.128908 -0.978504 0.363594
H -3.266824 -0.181142 1.494840
H -4.172586 -1.439226 0.625708
H 3.504316 0.480355 -0.576181
H 4.393311 -2.082691 -0.476791
H 2.642305 -1.380590 -0.490947
H 4.305834 -2.056583 3.304189
H 1.076096 -3.321614 3.842968
H 5.303423 -2.683709 1.807885
H -2.512589 0.806610 -0.707366
H -3.429800 -0.433271 -1.585518
H 3.775799 2.026547 -1.433043
H -4.675349 1.637061 0.349801
H -5.582114 0.410167 -0.559720
H -3.895373 2.679351 -1.821572
H -4.789481 1.448999 -2.738748
H -6.959079 2.259014 -1.720124
H -6.070767 3.482345 -0.791084
H -5.294076 4.573318 -2.957846
H -7.078549 4.507213 -2.875776
H -6.185011 3.341249 -3.894300
H -0.162259 2.326296 -2.901753
H -0.432124 3.984486 -2.269104
H -0.783426 2.534215 -1.258095
H 1.719273 5.063579 -1.751876
H 3.077796 4.104437 -0.913624


