%chk=000183174.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183174

0 1
O -0.921436 -0.692750 -1.629159
O 1.542757 0.562448 -2.806454
O 2.027652 -2.739291 -1.139656
O -4.528027 0.322439 1.110443
O 1.213882 -2.462839 1.435773
O 4.717103 1.128362 1.692402
O 4.662975 3.021549 -0.441123
C 1.302129 -1.554909 -0.771771
C 0.300614 -1.436977 -1.941028
C 2.214279 -0.372143 -0.639627
C 0.886462 -0.687277 -3.135905
C 0.596619 -1.854275 0.585945
C -0.759273 -1.339871 0.727362
C -1.424329 -0.756989 -0.369044
C 2.285970 0.594789 -1.649911
C -2.703517 -0.196160 -0.190810
C 3.037470 -0.211994 0.495743
C -3.277401 -0.269068 1.107581
C -1.397065 -1.396663 1.999240
C 3.115439 1.727759 -1.550167
C -3.669170 0.485202 -1.025571
C -2.656179 -0.868252 2.216205
C -4.737658 0.782742 -0.232562
C 3.865124 0.892034 0.620901
C 3.905693 1.885334 -0.412702
C -6.047554 1.466351 -0.443116
C -6.131136 2.726139 0.426063
C -7.201647 0.501577 -0.148639
C 4.540960 0.296302 2.864974
C 5.536148 3.303638 0.685145
H -0.049482 -2.458369 -2.238291
H 1.636709 -1.317408 -3.655539
H 0.097722 -0.339141 -3.834639
H 3.005301 -0.974905 1.278692
H 2.665826 -2.979222 -0.420234
H -0.847944 -1.877520 2.816968
H 3.137239 2.467704 -2.349707
H -3.525730 0.700020 -2.067988
H -3.149983 -0.904791 3.181962
H -6.102344 1.772000 -1.523286
H -5.321831 3.428589 0.194677
H -6.053416 2.480707 1.493491
H -7.081174 3.250186 0.276402
H -7.172606 0.150331 0.891365
H -7.159329 -0.384650 -0.792265
H -8.172530 0.983343 -0.306720
H 5.261166 0.741307 3.562597
H 4.806448 -0.740347 2.637016
H 3.519211 0.379076 3.247055
H 6.005729 4.242819 0.371472
H 6.270829 2.498807 0.800716
H 4.942002 3.427657 1.596428


%chk=000183174-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183174

0 1
O -0.769187 -0.717781 -1.681552
O 1.612705 0.291305 -3.021135
O 2.252033 -2.881678 -1.275576
O -4.355221 0.308945 1.171709
O 1.263353 -2.902646 1.260224
O 4.301941 1.341581 1.837593
O 4.338381 3.182004 -0.469300
C 1.380398 -1.760958 -0.877484
C 0.362064 -1.624374 -2.029948
C 2.156545 -0.458677 -0.706391
C 1.031698 -1.038604 -3.267235
C 0.656446 -2.142810 0.436306
C -0.670376 -1.564327 0.652759
C -1.303310 -0.843167 -0.405137
C 2.243547 0.469425 -1.774792
C -2.549005 -0.219793 -0.157397
C 2.850189 -0.160039 0.492700
C -3.127763 -0.364696 1.133638
C -1.311056 -1.688179 1.929735
C 2.980234 1.659601 -1.629480
C -3.470028 0.579303 -0.943091
C -2.550552 -1.091783 2.195872
C -4.542539 0.888652 -0.130387
C 3.598872 1.021378 0.653549
C 3.661455 1.960274 -0.432195
C -5.806525 1.677860 -0.317248
C -5.853227 2.903662 0.636496
C -7.064533 0.783972 -0.135322
C 4.228295 0.379028 2.937038
C 5.123967 3.698247 0.665303
H -0.054909 -2.624984 -2.256579
H 1.828425 -1.737098 -3.587536
H 0.305814 -0.884687 -4.080502
H 2.794178 -0.879670 1.314577
H 2.514061 -3.333260 -0.423354
H -0.784407 -2.261909 2.698690
H 3.038796 2.370610 -2.457093
H -3.340594 0.888765 -1.977126
H -3.045130 -1.176396 3.166028
H -5.788053 2.047417 -1.361145
H -4.979601 3.562473 0.487105
H -5.860458 2.573851 1.690316
H -6.769534 3.492766 0.451536
H -7.108556 0.381999 0.892283
H -7.058403 -0.067714 -0.838524
H -7.979850 1.376501 -0.314557
H 4.834706 0.817552 3.743582
H 4.650596 -0.602025 2.643950
H 3.185834 0.242328 3.285569
H 5.513092 4.661160 0.298667
H 5.953260 3.018781 0.921160
H 4.490630 3.851215 1.554405


