%chk=000181526.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181526

0 1
O -1.495254 0.203573 1.353258
O 0.319345 -0.291122 -0.009291
O -2.722394 -3.292889 -0.381141
O 0.103694 -2.871544 0.270304
O -4.041453 -0.774202 -1.136970
O 3.123088 1.899624 0.710993
O -2.913691 2.778949 0.090729
O 2.186127 2.002869 -1.749239
O 4.619599 -0.105928 0.030648
O -0.004543 3.516669 0.143074
O 3.642308 -2.548216 0.205533
C -2.086800 -2.008357 -0.391339
C -1.022152 -2.116446 0.721476
C -3.119155 -0.902667 -0.060667
C -0.452153 -0.732505 1.112717
C -2.392522 0.426311 0.232121
C 1.021612 0.966268 0.176848
C 2.452051 0.625953 0.639945
C -3.318567 1.556238 0.702808
C 0.918414 1.656144 -1.205716
C 3.246163 -0.284401 -0.325610
C 0.031714 2.920841 -1.159269
C 2.831346 -1.753639 -0.213266
H -1.614254 -1.857944 -1.387613
H -1.457313 -2.621585 1.619226
H -3.776679 -1.217594 0.786535
H 0.130244 -0.725783 2.055494
H -1.783707 0.758063 -0.641630
H 0.503553 1.578909 0.961366
H 2.444942 0.200621 1.669261
H -3.314759 1.648727 1.804875
H -4.355583 1.412745 0.333270
H 0.522916 0.930599 -1.962133
H 3.178425 0.090106 -1.382490
H -3.557886 -3.258791 -0.907181
H -0.195329 -3.778250 0.004296
H -3.634291 -0.333971 -1.915382
H -1.038506 2.687655 -1.346945
H 0.383531 3.662267 -1.901156
H 4.114103 1.737156 0.737942
H 2.754678 2.470271 -1.067633
H -2.096246 3.136957 0.530890
H 1.795561 -2.002786 -0.512726
H 4.962408 -0.923866 0.494096
H 0.867516 3.907670 0.370589


%chk=000181526-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181526

0 1
O -1.262499 0.036947 1.605595
O 0.400929 -0.254464 -0.136033
O -2.792486 -2.986637 -0.889531
O -0.041933 -3.031211 -0.117678
O -3.999277 -0.277519 -0.989590
O 3.360948 1.808456 0.796119
O -3.636503 2.374720 -0.014698
O 1.666924 3.237683 -0.609771
O 4.732610 -0.209832 0.040816
O -0.996824 3.028924 -0.897861
O 3.875691 -2.631057 0.599729
C -2.117559 -1.731851 -0.538083
C -1.026821 -2.124552 0.470313
C -3.077281 -0.696708 0.072978
C -0.300157 -0.876279 1.001551
C -2.247004 0.494497 0.586411
C 1.133369 0.986802 0.203233
C 2.541070 0.589317 0.723020
C -3.078823 1.650684 1.148781
C 1.204114 1.912565 -1.045742
C 3.306577 -0.434006 -0.196911
C -0.131565 2.195836 -1.753527
C 2.972992 -1.899362 0.106623
H -1.652777 -1.283334 -1.439853
H -1.517820 -2.609746 1.339901
H -3.645345 -1.157437 0.909216
H 0.399635 -1.126691 1.819771
H -1.676329 0.901280 -0.262872
H 0.589240 1.528431 1.000929
H 2.457743 0.161146 1.743791
H -2.443750 2.309300 1.770640
H -3.944403 1.311495 1.740673
H 1.899539 1.477117 -1.794593
H 3.081875 -0.229140 -1.260869
H -3.551167 -2.765750 -1.487577
H -0.546780 -3.759034 -0.565058
H -4.175420 0.707040 -0.883662
H -0.676645 1.266110 -1.977395
H 0.079860 2.734729 -2.696927
H 4.310091 1.491471 0.718778
H 2.485551 3.073030 -0.045119
H -2.852423 2.793154 -0.487697
H 1.954832 -2.276985 -0.121739
H 5.090358 -1.061858 0.434133
H -0.392254 3.725420 -0.519317


