%chk=000235941.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235941

0 1
O 5.764066 -1.088836 -0.044559
O -4.256158 0.101767 1.723220
C 0.349476 -0.403468 0.333682
C 1.164482 0.799535 -0.230253
C 2.571574 0.729946 0.378240
C -1.107930 -0.399817 -0.236571
C 3.302493 -0.580250 -0.055571
C -1.762967 0.963794 0.153774
C 1.069610 -1.747301 0.082701
C 2.534388 -1.762550 0.555399
C 0.475227 2.133115 0.107950
C 3.589176 1.842617 0.068167
C -0.968756 2.157104 -0.404441
C 4.720756 -0.322211 0.550526
C -1.930858 -1.522947 0.451743
C 4.959384 1.202363 0.384388
C -3.232586 1.038829 -0.287671
C -1.102766 -0.617015 -1.757121
C 3.414002 -0.749249 -1.577302
C -3.415166 -1.498436 0.081971
C -4.067733 -0.116589 0.302885
C -5.426205 -0.097535 -0.234621
C -6.548501 -0.080000 -0.670349
H 0.276377 -0.267431 1.441122
H 1.228127 0.706844 -1.340586
H 2.448988 0.704354 1.492872
H -1.741149 1.037209 1.271904
H 1.034649 -1.991849 -0.997813
H 0.520612 -2.561093 0.593744
H 2.578223 -1.722965 1.659397
H 3.012542 -2.719032 0.272544
H 1.043898 2.970928 -0.337446
H 0.491766 2.307063 1.200643
H 3.410037 2.741831 0.677344
H 3.530364 2.162441 -0.984936
H -1.455170 3.106086 -0.109346
H -0.981995 2.144041 -1.510720
H 4.787103 -0.644600 1.611352
H -1.819113 -1.449130 1.550297
H -1.512065 -2.511883 0.180233
H 5.690893 1.395418 -0.416600
H 5.399128 1.627585 1.300411
H -3.676964 2.001496 0.034908
H -3.307259 1.025478 -1.391646
H -0.489384 0.135232 -2.266542
H -0.700100 -1.601215 -2.019323
H -2.112474 -0.554362 -2.176778
H 3.902367 0.108864 -2.049449
H 3.981218 -1.653333 -1.827800
H 2.424768 -0.850223 -2.041024
H -3.548169 -1.801357 -0.975006
H -3.963916 -2.250262 0.684923
H 5.833177 -0.919748 -1.004325
H -3.388885 0.134236 2.174480
H -7.511701 -0.065088 -1.043722


%chk=000235941-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235941

0 1
O 5.819040 -1.175193 0.334731
O -4.151919 0.049019 1.891039
C 0.339810 -0.424443 0.214432
C 1.168611 0.804195 -0.298160
C 2.583174 0.734354 0.313464
C -1.143104 -0.415330 -0.324907
C 3.348231 -0.577643 -0.034179
C -1.789096 0.953102 0.104327
C 1.088274 -1.769681 -0.019101
C 2.541608 -1.767821 0.530500
C 0.462645 2.137359 0.049956
C 3.604582 1.864310 0.012066
C -1.003359 2.169986 -0.433951
C 4.705377 -0.283861 0.681435
C -1.968385 -1.549920 0.360530
C 4.987102 1.228641 0.383387
C -3.295064 1.042245 -0.234798
C -1.180240 -0.615105 -1.865805
C 3.605495 -0.764393 -1.552556
C -3.482449 -1.495627 0.048973
C -4.114784 -0.117671 0.407078
C -5.522833 -0.063853 -0.025820
C -6.685493 -0.026191 -0.428406
H 0.260981 -0.293181 1.321122
H 1.258924 0.747280 -1.403745
H 2.443154 0.718290 1.420595
H -1.692735 0.998868 1.217090
H 1.110293 -2.007276 -1.100228
H 0.531772 -2.593207 0.466941
H 2.511825 -1.688752 1.638060
H 3.037670 -2.728760 0.291705
H 1.026021 2.984755 -0.386603
H 0.483114 2.276267 1.152692
H 3.399147 2.778652 0.595684
H 3.569238 2.148106 -1.057346
H -1.493754 3.104245 -0.095257
H -1.038286 2.182255 -1.542138
H 4.583690 -0.451709 1.767537
H -1.807505 -1.498047 1.459978
H -1.589453 -2.540655 0.047353
H 5.708563 1.316800 -0.452711
H 5.453851 1.720439 1.254123
H -3.706746 1.998721 0.138235
H -3.446152 1.029941 -1.330774
H -0.534142 0.105154 -2.396329
H -0.840017 -1.631231 -2.135621
H -2.199793 -0.496484 -2.271191
H 4.196651 0.065061 -1.984360
H 4.157164 -1.707549 -1.724630
H 2.667647 -0.826167 -2.128598
H -3.657677 -1.700378 -1.023419
H -4.018094 -2.276309 0.619163
H 6.107220 -0.972750 -0.591575
H -3.214553 0.021090 2.215979
H -7.704343 0.008453 -0.766667


