%chk=000182444.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182444

0 1
O -4.128886 -1.190959 -0.563158
O 2.495740 0.499155 1.337959
O -3.262617 1.430009 0.370384
O -2.346976 -0.031910 -2.623935
O 0.687671 1.768209 1.158356
O 6.480573 -0.013673 -0.897270
O -4.276424 0.526811 2.182526
C -1.715559 -0.335568 -0.276542
C -0.331587 -1.025795 -0.030052
C -2.768783 -1.446021 -0.089123
C 0.939251 -0.193412 -0.370407
C -0.270279 -1.582805 1.406669
C -2.746602 -2.091295 1.285914
C 0.813198 0.559282 -1.729936
C -3.345348 -2.225240 -1.245587
C -1.653947 0.281756 -1.689662
C -1.360351 -2.639086 1.625352
C -0.532750 1.287905 -1.842853
C 2.176286 -1.132909 -0.404468
C -2.001510 0.812030 0.721991
C 1.279918 0.807362 0.742997
C 3.160448 -0.620386 0.667754
C 1.957579 1.550669 -1.947539
C 4.451144 -0.124022 0.115482
C -4.379262 1.115700 1.131577
C 4.948318 1.229283 0.233884
C 5.405823 -0.838136 -0.569458
C 6.167316 1.253647 -0.385943
C -5.585291 1.635751 0.441324
H -0.313675 -1.900636 -0.738541
H -0.386125 -0.764446 2.147114
H 0.721525 -2.026348 1.614167
H -3.511243 -2.890887 1.348953
H -3.078568 -1.339791 2.044030
H 0.856629 -0.215203 -2.540292
H -3.101388 -1.976199 -2.280307
H -3.720080 -3.234347 -1.100517
H -1.149091 -3.537377 1.012964
H -1.344132 -2.980772 2.679487
H -0.616651 1.802442 -2.822041
H -0.615918 2.095703 -1.081253
H 2.647466 -1.142088 -1.405866
H 1.903389 -2.185601 -0.210030
H -1.283313 1.655908 0.627090
H -2.022257 0.460751 1.771864
H 3.327212 -1.352615 1.491420
H 2.943608 1.093729 -1.793815
H 1.943780 1.950809 -2.968951
H 1.895738 2.413559 -1.270167
H 4.424768 2.024680 0.736410
H 5.526708 -1.844473 -0.900992
H 6.926890 1.979437 -0.573973
H -5.943189 0.878794 -0.285036
H -5.379658 2.549204 -0.137822
H -6.400918 1.838119 1.149575


%chk=000182444-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000182444

0 1
O -4.166295 -1.423242 -0.379164
O 2.547918 0.865185 1.069106
O -3.435468 1.422286 0.294344
O -2.589482 -0.169090 -2.611271
O 0.663503 2.150042 0.812483
O 6.634841 -0.306940 -0.758936
O -4.471020 0.586216 2.214941
C -1.781750 -0.320095 -0.254962
C -0.297333 -0.872370 -0.055068
C -2.719598 -1.530212 0.039058
C 0.912266 0.034287 -0.534899
C -0.099674 -1.416145 1.385721
C -2.554722 -2.130674 1.437998
C 0.613806 0.702968 -1.930256
C -3.261532 -2.440684 -1.030844
C -1.842701 0.258303 -1.695370
C -1.092484 -2.559457 1.696009
C -0.807313 1.334935 -1.986164
C 2.206211 -0.842811 -0.630785
C -2.135828 0.846239 0.721067
C 1.296199 1.123773 0.496658
C 3.124530 -0.428461 0.549821
C 1.668694 1.749951 -2.358264
C 4.576018 -0.209379 0.231215
C -4.556076 1.139532 1.096096
C 5.528615 0.500463 1.068756
C 5.285993 -0.681172 -0.862239
C 6.754191 0.427279 0.438028
C -5.818502 1.569852 0.394695
H -0.252873 -1.749989 -0.739322
H -0.215069 -0.597728 2.122093
H 0.931321 -1.800121 1.503316
H -3.232788 -2.998717 1.525453
H -2.891220 -1.402518 2.198312
H 0.631764 -0.129716 -2.666895
H -3.067039 -2.238219 -2.086425
H -3.477695 -3.481306 -0.750848
H -0.844509 -3.433095 1.058462
H -0.976444 -2.885357 2.746517
H -0.997052 1.724961 -3.000609
H -0.863720 2.173976 -1.271346
H 2.716495 -0.649838 -1.588567
H 1.971059 -1.919359 -0.587400
H -1.407767 1.665493 0.675056
H -2.228165 0.503429 1.764011
H 3.027682 -1.132148 1.398474
H 2.699594 1.351585 -2.336499
H 1.465629 2.084443 -3.391235
H 1.633339 2.638808 -1.703386
H 5.301860 1.016749 1.999007
H 5.034477 -1.275436 -1.735947
H 7.747609 0.806612 0.657259
H -6.076483 0.783995 -0.339052
H -5.664771 2.510207 -0.157751
H -6.639641 1.671415 1.119256


