%chk=000185651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185651

0 1
O -0.243318 2.179908 -0.412051
O -0.451901 -2.524343 0.530024
O -4.716582 -3.295932 0.473091
C -2.497907 1.260916 -0.162218
C -1.939607 -0.091647 0.354287
C -1.568695 2.432436 0.211619
C -3.934606 1.458321 0.349837
C -2.784394 -1.225751 -0.262545
C -0.476228 -0.213104 0.023905
C -4.256614 -0.974646 -0.122188
C 0.273989 0.917592 -0.360205
C -4.774290 0.231734 0.148308
C -1.318386 2.605051 1.705469
C -1.955814 3.744580 -0.466158
C 0.240009 -1.421767 0.083859
C 1.628311 0.844516 -0.737227
C -5.138643 -2.180968 -0.330052
C 2.280522 -0.389182 -0.702152
C 1.590437 -1.534819 -0.273942
C 3.726967 -0.490543 -1.104530
C 4.641077 -0.292891 0.115154
C 6.121227 -0.398158 -0.271527
C 7.033167 -0.199801 0.947564
C 8.509364 -0.303772 0.571113
H -2.528740 1.207271 -1.282040
H -2.050912 -0.137601 1.467723
H -4.400543 2.322002 -0.166282
H -3.929470 1.713507 1.430968
H -2.516296 -2.199160 0.212639
H -2.528904 -1.356531 -1.334249
H -5.845963 0.393133 0.247951
H -0.550617 3.368791 1.886877
H -2.224662 2.906870 2.239150
H -0.951252 1.678012 2.165365
H -2.821235 4.209438 0.014930
H -1.121561 4.459999 -0.425276
H -2.186892 3.600723 -1.528704
H 2.140606 1.752558 -1.040598
H -5.051560 -2.577740 -1.362104
H -6.203293 -1.982216 -0.106974
H 2.098867 -2.488979 -0.219552
H 3.930304 -1.472657 -1.577456
H 3.966050 0.263086 -1.882861
H 4.394562 -1.044098 0.890999
H 4.436231 0.693924 0.575917
H 0.110424 -3.338824 0.531970
H -4.597376 -3.015174 1.403420
H 6.323699 -1.383021 -0.734459
H 6.364741 0.353316 -1.047195
H 6.791850 -0.951249 1.724755
H 6.834084 0.787107 1.409724
H 8.791551 0.453119 -0.169597
H 9.152129 -0.160581 1.446960
H 8.749689 -1.284355 0.144866


%chk=000185651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000185651

0 1
O -0.373742 2.230373 -0.671847
O -0.363025 -2.429505 0.789353
O -4.857313 -3.351692 0.556179
C -2.576728 1.272342 -0.155885
C -1.968191 -0.085352 0.297699
C -1.633074 2.469458 0.128282
C -3.998803 1.431543 0.429221
C -2.798469 -1.218684 -0.369137
C -0.477185 -0.157661 -0.017960
C -4.290969 -1.025646 -0.146719
C 0.228040 0.968003 -0.524703
C -4.819197 0.167389 0.248120
C -1.233539 2.622863 1.611516
C -2.165947 3.789049 -0.447668
C 0.293052 -1.334855 0.179529
C 1.588112 0.896465 -0.912108
C -5.180471 -2.233256 -0.362984
C 2.311252 -0.303827 -0.758654
C 1.651961 -1.423130 -0.189025
C 3.786726 -0.385013 -1.123713
C 4.719585 -0.312766 0.117265
C 6.217663 -0.406397 -0.247436
C 7.145808 -0.347240 0.987688
C 8.643225 -0.439983 0.622338
H -2.672886 1.229246 -1.261937
H -2.107517 -0.189319 1.396078
H -4.521315 2.274772 -0.064711
H -3.951508 1.693860 1.508027
H -2.490971 -2.199056 0.031075
H -2.580631 -1.244308 -1.458131
H -5.901861 0.245424 0.429663
H -0.539687 3.473940 1.723606
H -2.120709 2.816251 2.241023
H -0.730536 1.717693 1.991738
H -3.024676 4.157350 0.140107
H -1.371390 4.554531 -0.418801
H -2.481666 3.659389 -1.497782
H 2.064456 1.797068 -1.312100
H -5.020908 -2.676487 -1.362340
H -6.249840 -1.948989 -0.268789
H 2.204107 -2.360285 -0.032185
H 3.992622 -1.331238 -1.664194
H 4.047426 0.439756 -1.814523
H 4.457048 -1.130774 0.818579
H 4.524911 0.634378 0.659433
H 0.256054 -3.196723 0.870304
H -4.877360 -3.000233 1.482984
H 6.404949 -1.350536 -0.801473
H 6.480727 0.418342 -0.942623
H 6.880899 -1.171509 1.681078
H 6.955735 0.595602 1.539938
H 8.939287 0.388660 -0.048453
H 9.284130 -0.391548 1.521960
H 8.865938 -1.389333 0.099400


