%chk=000186448.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186448

0 1
O 0.103493 1.046529 0.045427
O -5.488956 1.805705 -0.517980
O -0.480601 -3.708652 -0.419518
O -3.649826 2.964073 0.014479
O 0.910156 2.270284 1.771384
O 1.571349 -1.943622 -0.959393
O 1.329202 -1.472910 1.219375
C -2.121860 0.423243 -0.442571
C -1.675050 -1.034155 -0.658667
C -3.602117 0.500125 -0.023622
C -1.252987 1.167085 0.583062
C -1.659812 -1.891410 0.610414
C -1.402390 -3.344385 0.291215
C -4.161776 1.884174 -0.155672
C 1.120616 1.600477 0.791719
C -2.334068 -4.344959 0.902575
C 2.424882 1.248757 0.156863
C 2.757056 -0.076077 -0.171480
C 3.332883 2.283022 -0.101718
C 3.986077 -0.359630 -0.778342
C 4.564619 1.993443 -0.698416
C 4.888523 0.677248 -1.039293
C 1.822613 -1.197533 0.144800
H -1.998988 0.948542 -1.429309
H -2.318138 -1.504226 -1.428634
H -0.647677 -1.016321 -1.096974
H -4.209010 -0.210669 -0.631181
H -3.736164 0.160069 1.027579
H -1.261516 0.719417 1.590022
H -1.503945 2.245212 0.649082
H -0.832149 -1.540403 1.285286
H -2.590180 -1.758588 1.190687
H -3.376465 -4.179116 0.600419
H -2.068353 -5.373323 0.607494
H -2.302196 -4.309549 2.001268
H -5.919634 2.698976 -0.604033
H 3.078822 3.310906 0.168091
H 4.231189 -1.388446 -1.052070
H 5.271753 2.799597 -0.897688
H 5.846444 0.454835 -1.511023
H 0.899978 -2.717641 -0.781056


%chk=000186448-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186448

0 1
O 0.117949 1.052586 -0.098387
O -5.489758 2.001625 0.436549
O -0.271065 -3.708748 -0.212247
O -3.786269 2.814228 -0.914811
O 0.890380 2.640829 1.429844
O 1.766660 -2.134728 -0.712571
O 1.207239 -1.141612 1.309139
C -2.190004 0.391518 -0.491377
C -1.768776 -1.089598 -0.697439
C -3.647849 0.514753 0.014474
C -1.256394 1.179599 0.443862
C -1.775677 -1.960666 0.595576
C -1.384264 -3.405334 0.320026
C -4.257259 1.886518 -0.222567
C 1.122115 1.748106 0.582641
C -2.355476 -4.501598 0.706110
C 2.477083 1.325682 0.104762
C 2.793491 -0.035017 -0.173211
C 3.448670 2.330786 -0.112500
C 4.054791 -0.359515 -0.724743
C 4.714972 1.996399 -0.638934
C 5.012488 0.651541 -0.959396
C 1.849335 -1.133325 0.220770
H -2.136503 0.880676 -1.483897
H -2.452015 -1.539301 -1.446359
H -0.755991 -1.109137 -1.134772
H -4.294584 -0.217765 -0.508784
H -3.741539 0.283228 1.092305
H -1.251365 0.778536 1.475979
H -1.534886 2.247329 0.479334
H -1.012894 -1.558051 1.293993
H -2.764599 -1.935447 1.086527
H -3.329795 -4.340590 0.206503
H -1.956469 -5.491865 0.440586
H -2.550448 -4.458825 1.795129
H -5.879922 2.899128 0.251092
H 3.193980 3.369200 0.122785
H 4.278124 -1.406036 -0.952511
H 5.460159 2.780847 -0.807832
H 5.989046 0.389801 -1.380519
H 1.013113 -2.805656 -0.482528


