%chk=000225920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225920

0 1
O 2.639268 -1.289846 -3.219742
O 3.074420 -1.174317 0.850051
O 0.939772 -0.430873 -4.384811
O 2.067740 4.737110 -0.765378
O 3.676263 3.826563 0.724619
O -2.458046 0.590860 2.664885
O -4.544614 -1.412441 -1.346067
O -4.816478 -0.661379 1.492007
O 2.093221 -2.938600 1.868217
C 1.621871 -1.640697 -1.043607
C 0.577579 -1.047861 -2.013528
C -0.070476 0.294666 -1.594185
C 1.799170 -0.796102 0.232113
C 0.941023 1.210616 -0.944071
C 2.929824 -1.732379 -1.860961
C 1.886751 0.678809 -0.056075
C 1.329244 -0.859746 -3.333441
C -1.300231 0.045531 -0.735811
C 0.916538 2.593580 -1.252791
C 2.869821 1.482221 0.569088
C 1.872506 3.369987 -0.638854
C 2.838566 2.821634 0.258654
C -2.406968 -0.559207 -1.341509
C -1.347171 0.395546 0.617358
C 3.085970 -2.277254 1.686339
C -2.510177 0.144267 1.360433
C -3.578736 -0.801152 -0.598034
C 3.216126 5.063796 0.086646
C -3.653946 -0.427182 0.762462
C 4.456090 -2.441101 2.237673
C -2.924492 -0.336579 3.683982
C -5.782651 -1.814417 -0.701896
C -5.562121 0.564066 1.758435
H 1.305027 -2.665872 -0.727646
H -0.234567 -1.800731 -2.188614
H -0.436909 0.792177 -2.543383
H 0.981891 -1.014102 0.966342
H 3.724671 -1.057167 -1.495073
H 3.310536 -2.759258 -1.969404
H 0.183886 3.015493 -1.936881
H 3.603118 1.049167 1.247223
H -2.399739 -0.841765 -2.393736
H -0.509704 0.878116 1.119736
H 4.023145 5.429392 -0.562047
H 2.866369 5.740843 0.876969
H 4.454114 -2.306253 3.332307
H 5.173660 -1.717956 1.816180
H 4.841212 -3.454716 2.040237
H -2.176030 -1.126532 3.797987
H -3.905623 -0.755482 3.432420
H -2.970334 0.303549 4.571513
H -5.576988 -2.382392 0.212584
H -6.242552 -2.438656 -1.476887
H -6.382971 -0.927666 -0.483596
H -4.943912 1.260997 2.334438
H -6.409676 0.197179 2.344972
H -5.886579 1.015619 0.817861


%chk=000225920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225920

0 1
O 2.650757 -1.144579 -3.305403
O 2.938368 -1.243616 0.930696
O 0.906035 -0.133128 -4.446925
O 2.235263 4.840647 -0.756544
O 3.812925 3.845170 0.754184
O -2.629181 0.772987 2.694152
O -4.707739 -1.326334 -1.286096
O -4.927763 -0.502441 1.489259
O 1.659330 -2.953746 1.876752
C 1.584585 -1.573160 -1.126287
C 0.562226 -0.921758 -2.104595
C -0.102124 0.416642 -1.620508
C 1.735470 -0.762463 0.187505
C 0.953996 1.305524 -0.976335
C 2.923477 -1.637692 -1.926885
C 1.889306 0.722832 -0.075294
C 1.336030 -0.670212 -3.412864
C -1.343436 0.151517 -0.743115
C 1.004825 2.696464 -1.268299
C 2.899252 1.502188 0.551722
C 2.001330 3.447695 -0.644763
C 2.927866 2.862198 0.243961
C -2.451113 -0.513419 -1.323875
C -1.424354 0.555433 0.608915
C 2.755520 -2.362890 1.760788
C -2.591658 0.303984 1.360734
C -3.631159 -0.754774 -0.586612
C 3.498471 5.083555 -0.009237
C -3.722427 -0.320647 0.767067
C 4.050260 -2.715872 2.456960
C -2.832268 -0.276044 3.721916
C -5.380022 -2.490527 -0.666325
C -5.643490 0.767857 1.772726
H 1.257102 -2.589222 -0.852169
H -0.245977 -1.633698 -2.349233
H -0.462411 0.911434 -2.544264
H 0.854170 -0.970152 0.822866
H 3.701995 -0.985402 -1.499518
H 3.312911 -2.662447 -2.029756
H 0.293772 3.154789 -1.960416
H 3.616966 1.046152 1.234836
H -2.441065 -0.828897 -2.373488
H -0.602057 1.083367 1.100854
H 4.312747 5.277574 -0.732092
H 3.342038 5.911347 0.699461
H 4.413129 -1.856241 3.046476
H 4.830426 -2.954239 1.713062
H 3.892335 -3.579839 3.117894
H -1.982998 -0.985175 3.710449
H -3.779086 -0.818280 3.550911
H -2.860389 0.260475 4.682471
H -4.668426 -3.333697 -0.573952
H -6.185972 -2.757524 -1.366571
H -5.789034 -2.228757 0.322858
H -5.006117 1.442871 2.371479
H -6.540882 0.479038 2.341034
H -5.934031 1.257233 0.825136


