%chk=000181191.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181191

0 1
O 2.527477 3.068492 -1.088136
O -0.242193 0.641347 -1.578590
O 3.346904 -0.952911 1.591175
O 2.396206 -2.294886 3.124619
O -2.558933 3.146530 1.458828
O -3.722874 1.270818 0.955180
C 2.990640 1.674851 -1.081761
C 1.689934 2.082634 -1.770193
C 2.970368 1.033689 0.286234
C 4.199714 1.423539 -1.937613
C 3.040551 -0.488731 0.224532
C 0.381729 1.850191 -1.151563
C 1.727571 -1.165835 -0.108017
C -0.415544 2.500431 -0.253999
C -1.447223 0.567525 -0.885067
C -1.487145 -1.931733 -0.755973
C 1.311287 -1.920584 0.919490
C -2.261117 -0.640857 -1.115312
C -1.201125 -2.008381 0.759219
C 0.097355 -2.761041 1.085090
C -1.595072 1.681405 -0.076621
C 2.321831 -1.811052 2.032557
C -2.267740 -3.148768 -1.226060
C -2.731869 1.953918 0.791252
C -1.524889 -4.055944 -2.156641
C -3.522241 -3.393521 -0.841622
C -3.627973 3.532788 2.365429
H 1.668413 2.200592 -2.862830
H 2.074004 1.360999 0.860963
H 3.824935 1.413635 0.894585
H 4.101603 0.501221 -2.523516
H 4.366813 2.250521 -2.646543
H 5.118788 1.345078 -1.339072
H 3.888837 -0.861083 -0.389425
H 1.238263 -0.992092 -1.057291
H -0.237499 3.438450 0.247562
H -0.507613 -1.888787 -1.301484
H -3.202794 -0.567555 -0.510377
H -2.598280 -0.687956 -2.175008
H -2.048323 -2.499885 1.279961
H -1.154528 -0.989560 1.195116
H 0.183430 -3.673931 0.455429
H 0.043845 -3.140873 2.132644
H -1.255311 -3.539863 -3.088260
H -0.596225 -4.426667 -1.702050
H -2.114563 -4.938640 -2.440474
H -4.089205 -4.252601 -1.165513
H -4.080828 -2.757081 -0.171470
H -3.731833 2.779609 3.152811
H -4.563045 3.641295 1.806994
H -3.268413 4.490358 2.756814


%chk=000181191-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181191

0 1
O 2.537000 3.052057 -1.256252
O -0.314859 0.576319 -1.631589
O 3.219814 -0.734225 1.930799
O 1.996237 -2.032890 3.448238
O -2.511055 3.233124 1.415936
O -3.763150 1.316234 0.958390
C 3.003535 1.605887 -1.111441
C 1.711795 1.941414 -1.841089
C 2.983676 1.112655 0.332488
C 4.230122 1.277585 -1.946680
C 3.112889 -0.425762 0.476983
C 0.374029 1.760787 -1.241150
C 1.918646 -1.235426 0.010069
C -0.396425 2.458991 -0.337946
C -1.528276 0.538149 -0.919518
C -1.523789 -1.985529 -0.710528
C 1.351562 -1.910006 1.051722
C -2.351507 -0.697872 -1.085595
C -1.202812 -2.019656 0.808105
C 0.116472 -2.778994 1.149295
C -1.609776 1.684748 -0.125698
C 2.155304 -1.619450 2.286474
C -2.229239 -3.234663 -1.261299
C -2.730852 2.011446 0.768628
C -1.915933 -3.554075 -2.714887
C -3.096067 -3.997637 -0.544370
C -3.580782 3.657838 2.349046
H 1.748784 1.888279 -2.939841
H 2.058776 1.442382 0.835741
H 3.834286 1.569182 0.872634
H 4.288191 0.196569 -2.173563
H 4.203148 1.827350 -2.902587
H 5.153999 1.566454 -1.413868
H 4.056017 -0.778410 0.016041
H 1.585063 -1.226961 -1.028673
H -0.146826 3.405723 0.132106
H -0.565761 -1.897421 -1.262339
H -3.241460 -0.610388 -0.439918
H -2.702212 -0.781465 -2.132620
H -2.039639 -2.486244 1.357427
H -1.126211 -0.986827 1.197440
H 0.204724 -3.664730 0.491162
H 0.068976 -3.157316 2.186839
H -2.095199 -2.678497 -3.369818
H -0.847632 -3.823381 -2.835474
H -2.525098 -4.392356 -3.093182
H -3.596568 -4.861417 -0.996865
H -3.339007 -3.796224 0.504232
H -3.701642 2.915249 3.155568
H -4.537433 3.765498 1.810757
H -3.237733 4.622999 2.746673


