%chk=000218608.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218608

0 1
O 4.259423 1.548963 -1.157356
O -6.119295 0.670802 0.230021
O -5.200601 -1.298238 -0.296589
C 2.528274 -0.012455 -0.388371
C 3.808179 0.793421 -0.026678
C 2.794297 -1.459722 0.077132
C 4.883076 -0.212531 0.430614
C 4.322240 -1.617055 0.164326
C 1.274330 0.608614 0.241066
C -0.012051 -0.070417 -0.247176
C -1.256798 0.591507 0.359738
C -2.538607 -0.097968 -0.121474
C -3.783978 0.569824 0.471849
C -5.029582 -0.165378 0.083921
H 2.414141 0.001702 -1.498909
H 3.630384 1.594363 0.720711
H 2.349018 -2.192341 -0.614095
H 2.332362 -1.646059 1.063151
H 5.106597 -0.074247 1.502402
H 5.834913 -0.038349 -0.099372
H 4.610154 -2.326572 0.957098
H 4.726365 -2.026566 -0.778008
H 1.334795 0.555165 1.345101
H 1.241349 1.689170 -0.008714
H 0.006904 -1.146951 0.011585
H -0.063409 -0.027716 -1.352803
H -1.279277 1.665913 0.091207
H -1.199085 0.557583 1.465129
H 4.492458 0.965539 -1.904193
H -2.524495 -1.173870 0.152525
H -2.592357 -0.077058 -1.228711
H -3.854729 1.634284 0.154926
H -3.721234 0.606132 1.582830
H -6.977961 0.229009 -0.002082


%chk=000218608-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218608

0 1
O 4.010536 1.978957 -0.594027
O -6.251994 0.624909 0.411539
O -5.250578 -1.009425 -0.897211
C 2.581053 -0.087403 -0.230540
C 3.872947 0.700027 0.117172
C 2.869351 -1.507353 0.335895
C 5.010801 -0.313092 -0.147931
C 4.432005 -1.679919 0.324660
C 1.293056 0.580663 0.286796
C -0.004275 -0.110491 -0.189711
C -1.284232 0.589645 0.318885
C -2.578593 -0.097012 -0.168542
C -3.843723 0.611344 0.351132
C -5.130225 -0.031411 -0.127691
H 2.525967 -0.148539 -1.341903
H 3.854165 1.001666 1.181261
H 2.363366 -2.297125 -0.246552
H 2.482003 -1.575392 1.371121
H 5.949131 -0.036745 0.362236
H 5.219680 -0.335311 -1.237694
H 4.799120 -1.928577 1.336612
H 4.748669 -2.502106 -0.340988
H 1.316552 0.593264 1.397693
H 1.287818 1.640850 -0.040535
H -0.009902 -1.168235 0.144694
H -0.018581 -0.134833 -1.299765
H -1.275942 1.648622 -0.014824
H -1.270169 0.613713 1.428948
H 4.091674 1.784559 -1.563488
H -2.589277 -1.154728 0.158239
H -2.599160 -0.119999 -1.274956
H -3.861241 1.673986 0.036704
H -3.865694 0.631374 1.458444
H -7.078508 0.182614 0.075129


