%chk=000189467.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189467

0 1
O -1.020500 0.997082 1.574170
O -2.654710 -1.402761 1.109663
O 1.064881 -1.873045 -0.717241
O 4.304016 1.484559 0.911871
O 3.620979 -1.364382 0.548200
O -4.646851 -1.173367 -0.991632
C -0.968151 3.080978 -0.159109
C 0.191250 2.893045 -1.159115
C -1.991794 1.989423 -0.290623
C 1.108108 1.775445 -0.739508
C -1.930348 0.852673 0.562541
C 2.316136 2.062821 -0.101060
C 0.750385 0.439245 -0.997194
C -2.969091 2.036020 -1.284878
C -2.783024 -0.248150 0.340533
C 1.574273 -0.592624 -0.549087
C 3.158658 1.015989 0.326501
C 2.785914 -0.330226 0.130404
C -3.778684 -0.149993 -0.658819
C -3.879639 0.990305 -1.462868
C -0.679991 -0.156663 2.385438
C -2.011121 -2.483268 0.366812
C 1.947191 -2.814921 -1.387205
C 5.324300 0.532645 1.310343
C 3.105871 -2.061041 1.719819
C -5.354000 -1.796725 0.114739
H -0.564854 3.106024 0.878325
H -1.438077 4.071044 -0.321664
H 0.751954 3.845417 -1.248467
H -0.214857 2.692034 -2.172495
H 2.626626 3.087785 0.090513
H -0.176033 0.199831 -1.516872
H -3.027967 2.907236 -1.938742
H -4.654912 1.040456 -2.223212
H -0.152240 -0.890270 1.767794
H -1.581216 -0.589998 2.834604
H -0.020946 0.292270 3.136642
H -1.008260 -2.173561 0.043049
H -2.629425 -2.759456 -0.493055
H -1.967557 -3.283186 1.109619
H 2.939117 -2.828321 -0.919125
H 2.013092 -2.538453 -2.443555
H 1.421030 -3.765023 -1.254166
H 6.169317 1.192642 1.536877
H 4.986261 -0.014283 2.193930
H 5.552529 -0.156574 0.489331
H 3.868090 -2.827409 1.889264
H 3.033772 -1.371008 2.563653
H 2.132026 -2.505805 1.490054
H -6.085138 -1.085308 0.508325
H -4.660084 -2.124077 0.898149
H -5.842706 -2.644972 -0.375570


%chk=000189467-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189467

0 1
O -1.067016 1.051452 1.651991
O -2.717319 -1.399809 1.239409
O 1.224561 -1.963890 -0.906019
O 4.170371 1.262370 1.424932
O 3.535329 -1.484805 0.743428
O -4.569078 -1.382507 -0.933406
C -1.003283 3.102926 -0.224612
C 0.263474 2.914348 -1.135729
C -1.987255 1.949764 -0.340786
C 1.159945 1.762810 -0.707386
C -1.955342 0.862973 0.588645
C 2.301134 2.001346 0.094096
C 0.858118 0.428567 -1.081896
C -2.895410 1.897112 -1.421176
C -2.791811 -0.272717 0.378595
C 1.643919 -0.640455 -0.608612
C 3.106994 0.936686 0.558774
C 2.766724 -0.404842 0.231918
C -3.720348 -0.271181 -0.703232
C -3.773329 0.807447 -1.605291
C -0.713033 -0.014235 2.601246
C -2.141840 -2.603898 0.581372
C 2.178755 -2.754711 -1.717134
C 5.507342 0.747641 1.055266
C 2.863400 -2.199135 1.853742
C -5.550786 -1.647453 0.143539
H -0.675168 3.224232 0.820765
H -1.500199 4.041545 -0.537952
H 0.837947 3.860328 -1.116581
H -0.080704 2.762469 -2.177059
H 2.580737 3.018497 0.388547
H -0.000434 0.200711 -1.721273
H -2.917536 2.735233 -2.128219
H -4.493592 0.773039 -2.427597
H -0.236334 -0.865682 2.083894
H -1.594879 -0.369219 3.157747
H 0.012702 0.466514 3.276889
H -1.120541 -2.392961 0.210182
H -2.787172 -2.924057 -0.256108
H -2.116310 -3.378325 1.364346
H 3.151749 -2.840050 -1.201817
H 2.313737 -2.282747 -2.708902
H 1.714388 -3.745999 -1.835274
H 6.177396 1.084443 1.861239
H 5.500533 -0.352985 0.987100
H 5.830735 1.186952 0.091531
H 3.557763 -2.997397 2.158795
H 2.685118 -1.508929 2.699644
H 1.908344 -2.635247 1.506234
H -6.242287 -0.789258 0.246031
H -5.039112 -1.836909 1.103867
H -6.107495 -2.539901 -0.181804


