%chk=000222811.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222811

0 1
O 6.678864 -0.395089 0.139388
O -6.441013 0.230501 -0.905317
C 1.965888 0.290225 0.141811
C 1.131424 -0.945432 -0.334057
C -0.269280 -0.945091 0.293170
C -1.008815 0.335756 -0.187751
C 3.348691 -0.036370 -0.513240
C 1.260351 1.545341 -0.404785
C -2.451079 0.425789 0.411771
C 2.067065 -2.138292 -0.078374
C -0.189382 1.612866 0.105093
C 3.485438 -1.576454 -0.334130
C -1.064690 -2.190814 -0.127544
C 2.088475 0.376187 1.670164
C -3.205087 -0.881966 0.161156
C -2.476904 -2.163115 0.461552
C 4.559296 0.726707 0.054017
C -3.184181 1.603275 -0.289710
C -2.430375 0.649184 1.934426
C -4.691337 1.606117 -0.049490
C -4.488183 -0.916495 -0.235459
C 4.512260 2.220633 -0.266365
C 5.840942 0.147789 -0.544331
C -5.314961 0.284935 -0.455887
H 0.997509 -0.866256 -1.444258
H -0.183863 -0.927225 1.405811
H -1.122332 0.254729 -1.298866
H 3.276435 0.191512 -1.603126
H 1.273748 1.544386 -1.510114
H 1.810480 2.457588 -0.098774
H 1.841150 -2.986560 -0.742372
H 1.970595 -2.514687 0.953452
H -0.181048 1.809536 1.195485
H -0.688685 2.486821 -0.355265
H 4.154875 -1.822842 0.508636
H 3.937573 -2.032862 -1.228461
H -0.540055 -3.106922 0.204508
H -1.119302 -2.259288 -1.231616
H 2.640378 -0.477414 2.079436
H 2.609249 1.287693 1.980072
H 1.104011 0.382659 2.153096
H -2.432876 -2.289254 1.565827
H -3.047260 -3.041358 0.093083
H 4.600757 0.591379 1.165111
H -2.994166 1.555860 -1.381550
H -2.755627 2.565458 0.050645
H -1.822213 -0.106805 2.444226
H -2.014558 1.629894 2.190541
H -3.440189 0.603464 2.358575
H -5.174721 2.435811 -0.604121
H -4.926136 1.794522 1.018006
H -5.015233 -1.854708 -0.418216
H 5.349824 2.755763 0.197278
H 3.584067 2.672446 0.116970
H 4.542331 2.418493 -1.343658
H 5.959378 0.255679 -1.633266


%chk=000222811-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222811

0 1
O 6.804928 -0.461859 -0.377062
O -6.473043 0.204117 -1.239116
C 2.006760 0.311599 0.236419
C 1.151622 -0.929667 -0.190860
C -0.278908 -0.946802 0.390512
C -1.023043 0.347930 -0.065802
C 3.359151 -0.044937 -0.484716
C 1.260192 1.569440 -0.279900
C -2.521069 0.433687 0.448105
C 2.077312 -2.141316 0.068550
C -0.199380 1.627958 0.248237
C 3.504772 -1.597804 -0.266591
C -1.058819 -2.197496 -0.071966
C 2.223006 0.390931 1.771189
C -3.239084 -0.881130 0.091716
C -2.521786 -2.173565 0.433789
C 4.652121 0.717457 -0.061878
C -3.221982 1.631913 -0.266326
C -2.593113 0.623169 1.997458
C -4.761680 1.602725 -0.179050
C -4.490742 -0.913263 -0.470974
C 4.607406 2.245554 -0.336198
C 5.817343 0.140477 -0.859399
C -5.327828 0.281556 -0.696002
H 1.034835 -0.846360 -1.297488
H -0.217305 -0.970022 1.499613
H -1.093967 0.274761 -1.176843
H 3.200695 0.147003 -1.569718
H 1.246080 1.548922 -1.390464
H 1.778480 2.500620 0.015950
H 1.809847 -3.015084 -0.551218
H 2.012872 -2.462612 1.125986
H -0.179758 1.804634 1.340582
H -0.694847 2.509182 -0.199936
H 4.215448 -1.806460 0.554620
H 3.922263 -2.082793 -1.167694
H -0.560817 -3.115976 0.291567
H -1.051884 -2.241466 -1.180847
H 2.780621 -0.482519 2.153576
H 2.799901 1.296323 2.036552
H 1.269583 0.440826 2.323882
H -2.506207 -2.288599 1.539074
H -3.087409 -3.036009 0.036349
H 4.861331 0.531359 1.008213
H -2.930315 1.619685 -1.336506
H -2.851481 2.583624 0.157168
H -2.050010 -0.171757 2.538019
H -2.158861 1.593828 2.295734
H -3.641371 0.602358 2.344710
H -5.216190 2.430958 -0.750984
H -5.095242 1.724916 0.871887
H -4.953617 -1.872297 -0.738941
H 5.595546 2.708759 -0.160720
H 3.883930 2.743570 0.330069
H 4.308360 2.457256 -1.380025
H 5.732854 0.306392 -1.969094


