%chk=000187229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187229

0 1
O -2.955652 -2.610870 0.593747
O -5.761041 -2.189918 -0.430920
C -0.297231 0.715616 -0.044534
C -2.524996 -0.310189 -0.154702
C -1.110292 -0.445440 -0.144445
C 1.142239 0.596973 -0.001769
C -3.424506 -1.524400 -0.222510
C -0.906324 2.007503 0.006996
C -3.100505 0.967845 -0.158464
C 1.753895 -0.664926 -0.078447
C 1.954168 1.786535 0.118001
C -4.887901 -1.257355 0.228872
C -2.290289 2.119301 -0.067784
C -0.445122 -1.725111 -0.246824
C 3.190376 -0.772566 -0.027010
C 0.909969 -1.827362 -0.214876
C -0.057165 3.188230 0.127091
C -4.556524 1.133606 -0.288087
C 3.969114 0.407250 0.097068
C 1.286662 3.083508 0.182013
C -5.396209 0.101786 -0.150174
C 3.326358 1.681366 0.166421
C 3.864391 -2.032265 -0.096048
C 5.396148 0.306666 0.150147
C 5.234721 -2.103789 -0.043164
C 6.012655 -0.917780 0.081861
H -3.412840 -1.966955 -1.251323
H -4.983930 -1.414148 1.331903
H -2.760333 3.102281 -0.055014
H -1.064583 -2.622736 -0.358176
H 1.393505 -2.803812 -0.297038
H -0.555020 4.157132 0.171322
H -4.914435 2.136868 -0.523550
H 1.922138 3.965144 0.273990
H -6.475620 0.170541 -0.286599
H 3.948851 2.571308 0.257756
H 3.266911 -2.940513 -0.192221
H -2.655144 -2.287899 1.470919
H 5.980284 1.220956 0.245503
H -5.469405 -3.109385 -0.235954
H 5.745814 -3.063935 -0.095912
H 7.097571 -1.002061 0.121536


%chk=000187229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187229

0 1
O -3.082488 -2.770565 0.407018
O -5.855148 -2.276048 -0.203990
C -0.288063 0.712769 -0.030298
C -2.553747 -0.328589 -0.142026
C -1.124950 -0.465632 -0.135240
C 1.148435 0.595812 0.011010
C -3.511815 -1.517695 -0.277537
C -0.899903 2.019370 0.009453
C -3.134178 0.977893 -0.163814
C 1.780253 -0.688755 -0.075049
C 1.962843 1.796862 0.132091
C -4.939278 -1.225070 0.241043
C -2.303580 2.122727 -0.086290
C -0.452897 -1.742302 -0.255236
C 3.229274 -0.791385 -0.021173
C 0.928962 -1.840253 -0.229064
C -0.062267 3.197577 0.124578
C -4.590532 1.154449 -0.326671
C 4.016671 0.419531 0.111864
C 1.309476 3.089691 0.191014
C -5.460927 0.117791 -0.194246
C 3.360666 1.684443 0.182172
C 3.928523 -2.040469 -0.091194
C 5.448636 0.331238 0.167751
C 5.324138 -2.099010 -0.034658
C 6.095232 -0.902061 0.096098
H -3.586368 -1.833911 -1.336898
H -4.881920 -1.230086 1.360294
H -2.766744 3.117144 -0.097474
H -1.058665 -2.642975 -0.374583
H 1.377806 -2.832116 -0.334982
H -0.548403 4.179254 0.159301
H -4.953298 2.163132 -0.556700
H 1.936489 3.984071 0.282810
H -6.543771 0.227876 -0.308164
H 3.969867 2.592179 0.275414
H 3.368123 -2.974743 -0.188831
H -2.820257 -2.541466 1.336642
H 6.027653 1.256811 0.268151
H -5.423389 -3.143305 0.018010
H 5.832111 -3.067960 -0.090359
H 7.188132 -0.959222 0.139365


