%chk=000288471.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288471

0 1
S 0.585250 0.907846 1.065456
O -0.919418 0.997684 -3.079096
O 0.169348 2.346220 1.083497
C -1.514497 0.868763 -0.722229
C -0.150915 0.200542 -0.483751
C -1.971766 0.595969 -2.183620
C -2.570730 0.477468 0.285519
C -0.157192 -1.286553 -0.327717
C -3.260890 1.325496 -2.537182
C -3.324052 -0.698770 0.152609
C -2.807016 1.324913 1.380832
C 2.297888 0.877279 0.579061
C -0.590137 -1.911946 0.852219
C 0.302696 -2.079725 -1.395005
C -4.308319 -1.014305 1.093731
C -3.789456 1.004796 2.319804
C -0.548153 -3.304872 0.966200
C 0.338911 -3.470048 -1.277110
C 2.981261 2.079238 0.397154
C 2.956754 -0.346759 0.467293
C -4.545801 -0.163344 2.176929
C -0.081546 -4.086809 -0.093794
C 4.344919 2.060374 0.095674
C 4.320345 -0.368450 0.165430
C 5.022300 0.835176 -0.023058
C 6.483564 0.811014 -0.331181
H -1.347289 1.984555 -0.631987
H 0.495592 0.483519 -1.361197
H -2.037058 -0.497208 -2.392078
H -3.490467 1.213988 -3.604382
H -3.208873 2.398693 -2.322412
H -4.114500 0.930275 -1.970562
H -3.135883 -1.378314 -0.677310
H -2.205902 2.233035 1.504406
H -0.984510 -1.320677 1.680440
H 0.624152 -1.604913 -2.323250
H -0.822788 1.969167 -3.101411
H -4.889662 -1.927594 0.981667
H -3.965568 1.668075 3.165196
H -0.886195 -3.780373 1.885913
H 0.694201 -4.075311 -2.109752
H 2.447157 3.031827 0.491784
H 2.420987 -1.288144 0.607027
H -5.313858 -0.408858 2.906626
H -0.049784 -5.170268 -0.001731
H 4.880569 2.996582 -0.045826
H 4.838931 -1.320422 0.076409
H 7.075662 0.833406 0.596561
H 6.781122 -0.090980 -0.882668
H 6.798216 1.673145 -0.934927


%chk=000288471-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288471

0 1
S 0.692514 0.834111 1.329984
O -0.534111 1.300896 -2.818417
O 0.218293 2.444039 1.203486
C -1.469757 0.798822 -0.559202
C -0.190108 -0.033820 -0.318414
C -1.753855 0.866083 -2.099651
C -2.685847 0.395231 0.269469
C -0.219450 -1.516810 -0.092652
C -2.932388 1.792840 -2.442015
C -3.511778 -0.704330 -0.085504
C -3.008445 1.136855 1.436789
C 2.450810 0.843624 0.630160
C -0.824473 -2.114852 1.048702
C 0.408288 -2.362050 -1.049830
C -4.633090 -1.049684 0.700705
C -4.126421 0.788124 2.228875
C -0.811851 -3.516238 1.214972
C 0.410753 -3.765079 -0.887899
C 2.957001 2.080271 0.196967
C 3.220484 -0.335370 0.592332
C -4.945007 -0.305383 1.862624
C -0.199848 -4.347694 0.247121
C 4.275773 2.132154 -0.305282
C 4.537227 -0.262867 0.083008
C 5.085253 0.967039 -0.368429
C 6.515117 1.040479 -0.875576
H -1.182011 1.835682 -0.252158
H 0.528277 0.234435 -1.111748
H -1.929352 -0.146223 -2.504945
H -3.046347 1.860469 -3.537900
H -2.757932 2.810772 -2.041060
H -3.876506 1.421038 -2.009894
H -3.276454 -1.303248 -0.973085
H -2.369089 1.982699 1.719235
H -1.301707 -1.484509 1.805961
H 0.887028 -1.909872 -1.927008
H -0.360404 2.249810 -2.582998
H -5.259667 -1.900899 0.410193
H -4.359605 1.371794 3.126870
H -1.280725 -3.960580 2.100146
H 0.892029 -4.399592 -1.640631
H 2.312967 2.965751 0.266809
H 2.812755 -1.291345 0.939645
H -5.814883 -0.573749 2.473043
H -0.194683 -5.435594 0.378844
H 4.684226 3.090200 -0.649416
H 5.145890 -1.174108 0.039466
H 7.218482 1.246116 -0.045238
H 6.829830 0.091346 -1.343836
H 6.640397 1.847618 -1.618418


