%chk=000208862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208862

0 1
O -1.654635 0.157468 -0.563833
O 0.469071 -0.812589 -0.439469
C -0.667344 -0.595359 -1.276785
C -1.279004 -1.984703 -1.494870
C -1.706082 -2.634096 -0.172239
C -1.258645 2.162320 0.696115
C 2.651231 -0.300624 0.281429
C -2.317880 -4.020945 -0.395171
C -0.857057 3.648762 0.685675
C 3.744849 0.747053 0.570248
C -1.619934 1.598755 -0.678105
C 1.372628 0.310078 -0.283048
C -2.742495 -4.662045 0.933762
C 0.500498 3.866588 0.005042
C -1.937470 4.523981 0.038857
C 4.258485 1.398264 -0.720167
C 3.267433 1.814014 1.563045
C -3.354040 -6.045993 0.725680
H -0.371253 -0.070164 -2.206181
H -2.150633 -1.887387 -2.170769
H -0.533880 -2.623207 -2.009110
H -0.826370 -2.696143 0.500942
H -2.425482 -1.965628 0.344326
H -2.107438 2.003737 1.389074
H -0.428098 1.548240 1.121714
H 2.404388 -0.858090 1.208087
H 3.033651 -1.068290 -0.419969
H -3.191601 -3.946303 -1.070298
H -1.591903 -4.677281 -0.911894
H -0.755817 3.965926 1.756873
H 4.601735 0.198576 1.042223
H -0.922863 1.920251 -1.467830
H -2.655000 1.854301 -0.971174
H 1.530654 0.804246 -1.254671
H 0.893244 1.010871 0.434288
H -1.868476 -4.736522 1.610186
H -3.469006 -4.005394 1.451481
H 0.788190 4.923338 0.027715
H 0.486515 3.556963 -1.044473
H 1.302397 3.299000 0.508130
H -2.019934 4.346624 -1.038138
H -1.718255 5.588636 0.174834
H -2.921908 4.332460 0.479954
H 5.110312 2.056720 -0.518062
H 3.488479 2.004758 -1.207484
H 4.589452 0.644959 -1.443180
H 2.484184 2.459935 1.131614
H 4.091603 2.467168 1.868256
H 2.852987 1.359276 2.469251
H -3.653022 -6.493770 1.679732
H -4.245387 -6.001026 0.089949
H -2.645277 -6.731910 0.248339


%chk=000208862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208862

0 1
O -1.038849 0.295702 -0.038378
O 0.897993 -1.065769 -0.492515
C -0.373875 -0.591516 -1.008958
C -1.249454 -1.820302 -1.267138
C -1.583291 -2.632213 0.003728
C -1.667136 2.485299 0.760367
C 3.183543 -0.667709 0.186962
C -2.476449 -3.853598 -0.305279
C -1.839687 4.015162 0.540047
C 4.372454 0.303136 0.441605
C -1.128980 1.710958 -0.449069
C 1.881764 0.007751 -0.259525
C -2.827133 -4.685830 0.949471
C -0.495131 4.726319 0.244463
C -2.890966 4.343177 -0.549403
C 4.840301 1.017386 -0.850856
C 4.071061 1.327926 1.563673
C -3.713422 -5.909962 0.632668
H -0.195230 -0.011674 -1.948015
H -2.185276 -1.472075 -1.747151
H -0.722603 -2.465605 -1.997705
H -0.639187 -2.963490 0.476087
H -2.087459 -1.967913 0.731764
H -2.641494 2.041909 1.044152
H -0.978824 2.310516 1.610579
H 2.970597 -1.239131 1.111385
H 3.472635 -1.405975 -0.586326
H -3.416328 -3.513065 -0.790114
H -1.966146 -4.508335 -1.043618
H -2.222940 4.419478 1.500564
H 5.214778 -0.331155 0.789978
H -0.128171 2.085151 -0.751028
H -1.811688 1.803839 -1.319841
H 2.024150 0.583384 -1.202095
H 1.493062 0.692667 0.519483
H -1.888709 -5.022063 1.435568
H -3.341369 -4.034610 1.685448
H -0.625797 5.824337 0.234997
H -0.091423 4.433319 -0.743161
H 0.265207 4.480652 1.009737
H -2.542298 4.039795 -1.554677
H -3.094191 5.429693 -0.584143
H -3.847796 3.824578 -0.351220
H 5.764163 1.596881 -0.666831
H 4.075602 1.724701 -1.224078
H 5.050566 0.288960 -1.656528
H 3.291892 2.049462 1.252876
H 4.977100 1.908497 1.819205
H 3.718326 0.824023 2.483003
H -3.954131 -6.485354 1.545799
H -4.668112 -5.597688 0.167955
H -3.205851 -6.593824 -0.074009


