%chk=000228687.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228687

0 1
O 1.844305 0.007088 0.461872
O 1.248936 0.092990 -1.792230
C 3.615784 0.450351 -1.154248
C 3.260789 -0.230835 0.204149
C 3.921447 0.339229 1.485306
C 2.613745 -0.093361 -2.212371
C 5.025577 0.064394 -1.619616
C 3.469941 1.971538 -1.060646
C 0.955378 -0.523430 -0.525972
C 3.245794 -0.262169 2.725153
C 5.425548 0.057488 1.521739
C -0.431566 -0.076113 -0.114838
C -1.135620 -1.015771 0.822167
C -1.881622 -2.113519 0.048104
C -0.944271 1.071986 -0.574360
C -2.573061 -3.097786 0.999664
C -2.285453 1.585621 -0.243939
C -3.346446 -4.191555 0.248867
C -2.432242 -5.228074 -0.400900
C -3.349135 1.393433 -1.139601
C -2.496614 2.289211 0.952454
C -4.614774 1.901436 -0.836004
C -3.764774 2.795658 1.247406
C -4.825169 2.602713 0.355801
H 3.418343 -1.328188 0.136574
H 3.753032 1.445464 1.499344
H 2.775753 -1.162093 -2.429999
H 2.646279 0.485014 -3.152665
H 5.241048 0.465268 -2.616263
H 5.791151 0.472122 -0.940278
H 5.169912 -1.019663 -1.657725
H 3.636714 2.459902 -2.024998
H 2.448570 2.224919 -0.732049
H 4.168882 2.408297 -0.340909
H 1.087788 -1.620484 -0.612653
H 3.410006 -1.340994 2.800721
H 3.618871 0.199414 3.644004
H 2.157929 -0.098944 2.686693
H 5.642234 -1.015204 1.481123
H 5.870495 0.442520 2.446621
H 5.949761 0.536929 0.681912
H -0.410256 -1.463104 1.532307
H -1.852761 -0.451503 1.456286
H -1.181086 -2.657180 -0.613836
H -2.629078 -1.646274 -0.623892
H -0.364724 1.707346 -1.257805
H -1.826408 -3.561176 1.672666
H -3.271709 -2.546690 1.659758
H -4.033236 -4.698567 0.955709
H -3.996489 -3.731172 -0.521126
H -3.012825 -6.001643 -0.915278
H -1.799589 -5.728203 0.340825
H -1.766860 -4.769185 -1.141177
H -3.184056 0.848588 -2.067041
H -1.669649 2.439294 1.644240
H -5.439264 1.751052 -1.530660
H -3.927052 3.342646 2.174462
H -5.811124 2.998068 0.588354


%chk=000228687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228687

0 1
O 1.419408 -0.045111 0.276667
O 1.073790 1.079454 -1.811900
C 3.436283 0.503251 -1.080724
C 2.795853 -0.516036 -0.069282
C 3.454404 -0.741979 1.318482
C 2.416483 0.674671 -2.252791
C 4.721299 -0.051099 -1.752327
C 3.696054 1.873068 -0.412440
C 0.553715 0.071671 -0.899080
C 2.662211 -1.826192 2.093924
C 4.951099 -1.131984 1.271209
C -0.842531 0.430436 -0.416623
C -1.412517 -0.502124 0.642703
C -1.242872 -2.014783 0.332696
C -1.479998 1.499887 -0.981010
C -1.895468 -2.897749 1.420665
C -2.812267 2.063434 -0.664668
C -1.808639 -4.418434 1.141410
C -0.366023 -4.974221 1.122118
C -3.575163 2.641161 -1.721147
C -3.353356 2.120838 0.652981
C -4.843184 3.210831 -1.483746
C -4.618841 2.698776 0.893574
C -5.375718 3.237263 -0.172954
H 2.702313 -1.499734 -0.595649
H 3.354592 0.212808 1.872159
H 2.340867 -0.281234 -2.822080
H 2.751806 1.473958 -2.935052
H 4.958692 0.541310 -2.657791
H 5.598003 0.003424 -1.089621
H 4.595467 -1.105090 -2.067137
H 4.073376 2.600034 -1.156296
H 2.763124 2.273418 0.019222
H 4.450066 1.793409 0.391328
H 0.573003 -0.911816 -1.434297
H 2.774145 -2.816047 1.607927
H 3.042103 -1.915407 3.128370
H 1.589334 -1.577619 2.133678
H 5.128474 -1.979583 0.582432
H 5.278564 -1.448348 2.278678
H 5.599749 -0.294884 0.962949
H -0.918007 -0.296442 1.614854
H -2.489348 -0.294144 0.774855
H -0.166638 -2.258092 0.260890
H -1.700339 -2.246444 -0.651377
H -0.940143 2.009463 -1.790023
H -1.417525 -2.679005 2.399378
H -2.962439 -2.610072 1.523386
H -2.390390 -4.957018 1.916202
H -2.301491 -4.638962 0.172187
H -0.364126 -6.072058 0.990621
H 0.157209 -4.745379 2.070451
H 0.227605 -4.538377 0.297891
H -3.164769 2.629249 -2.738439
H -2.759601 1.756396 1.496939
H -5.413183 3.639090 -2.316174
H -5.009400 2.740600 1.916938
H -6.358014 3.684665 0.016070


