%chk=000195714.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195714

0 1
O -2.302968 1.488800 0.262300
O -4.410666 2.140356 -0.229578
O -5.909005 -1.096496 -0.589023
O -4.804377 -0.741397 -2.533658
O 4.866985 -0.580842 -0.963361
O 4.682039 0.691961 0.924378
O 6.818733 0.092899 -0.066873
O 6.772670 -1.336001 -1.884705
C -1.627519 0.163181 0.315212
C -2.266219 -0.592190 1.551593
C -0.127275 0.337072 0.417583
C -3.715097 -0.280797 -0.401448
C -2.270549 -0.537086 -0.911194
C -3.689077 -0.942342 1.005609
C 0.513672 -1.076251 0.468968
C 0.491835 1.152560 -0.723586
C -1.432426 -1.804259 1.883805
C -3.621762 1.250010 -0.148574
C 2.015991 -0.923293 0.762750
C 2.006048 1.324633 -0.493494
C -2.343214 0.301204 2.789155
C -0.180467 -1.984377 1.450660
C 2.678487 -0.068572 -0.335101
C -4.818222 -0.705872 -1.327836
C 2.639286 2.101421 -1.647867
C 4.134079 0.122737 0.031449
C -7.096660 -1.479898 -1.337546
C 6.241879 -0.667635 -1.041337
C 8.277299 0.095845 -0.053517
H 0.083215 0.870591 1.383415
H -2.015917 -1.601477 -1.009093
H -2.048769 -0.056470 -1.876163
H -3.850644 -2.030064 0.926338
H -4.501978 -0.562362 1.646889
H 0.401039 -1.554177 -0.542970
H 0.299215 0.675514 -1.702341
H 0.000232 2.146705 -0.775868
H -1.911414 -2.515020 2.557321
H 2.166348 -0.461657 1.759898
H 2.500768 -1.918284 0.809780
H 2.160800 1.899123 0.455786
H -2.785020 1.280736 2.552920
H -2.946643 -0.154933 3.581530
H -1.348967 0.496997 3.209778
H 0.402183 -2.853122 1.761294
H 2.612700 -0.615120 -1.314942
H 3.698058 2.320978 -1.463573
H 2.579911 1.558821 -2.598942
H 2.139672 3.067361 -1.797344
H -7.546661 -0.578609 -1.766789
H -7.731233 -1.924899 -0.563986
H -6.835848 -2.197560 -2.122206
H 8.489936 0.746247 0.804622
H 8.654348 0.518635 -0.989567
H 8.649168 -0.921123 0.103752


%chk=000195714-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195714

0 1
O -2.213542 1.465464 0.187805
O -4.332391 2.179729 -0.495254
O -6.022813 -0.732467 -0.768549
O -4.633204 -0.895929 -2.632362
O 5.004488 -0.832061 -0.889099
O 4.694761 -0.001843 1.291123
O 6.656681 0.735024 -0.813171
O 7.235606 -1.525943 -1.043320
C -1.617362 0.073271 0.371919
C -2.352173 -0.559549 1.613101
C -0.103489 0.148388 0.516083
C -3.695308 -0.283424 -0.445319
C -2.244380 -0.667233 -0.835545
C -3.790324 -0.845830 1.021083
C 0.448604 -1.300666 0.625570
C 0.632037 0.919104 -0.599408
C -1.610271 -1.830766 2.016608
C -3.531749 1.259319 -0.289724
C 1.959898 -1.256603 0.955378
C 2.155361 0.987125 -0.322136
C -2.433403 0.388322 2.839117
C -0.353759 -2.143854 1.602379
C 2.729298 -0.464238 -0.139620
C -4.791199 -0.671216 -1.410893
C 2.890256 1.762421 -1.437260
C 4.196955 -0.375769 0.219706
C -7.191359 -1.004776 -1.643256
C 6.408109 -0.617939 -0.896074
C 8.094263 1.113566 -0.786638
H 0.110448 0.660522 1.478405
H -2.079764 -1.756228 -0.812163
H -1.940277 -0.257661 -1.811145
H -4.009854 -1.926877 0.977789
H -4.592632 -0.356204 1.595338
H 0.357129 -1.773065 -0.381462
H 0.458982 0.431804 -1.581520
H 0.228607 1.945663 -0.673815
H -2.138578 -2.496105 2.714432
H 2.123197 -0.780587 1.940815
H 2.361175 -2.286692 1.019735
H 2.307611 1.519179 0.640703
H -2.964392 1.322914 2.589888
H -2.977560 -0.112087 3.661116
H -1.428783 0.650331 3.215245
H 0.116529 -3.073003 1.954878
H 2.644000 -0.991637 -1.108524
H 3.965924 1.886938 -1.217242
H 2.802817 1.238984 -2.408270
H 2.451470 2.769850 -1.555661
H -7.290037 -0.204218 -2.394639
H -8.052739 -1.018714 -0.961704
H -7.067225 -1.973987 -2.154630
H 8.089865 2.211390 -0.764081
H 8.601372 0.731472 -1.687753
H 8.571123 0.698595 0.116326


