%chk=000187692.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187692

0 1
O -2.820566 -2.688951 -1.569192
O -3.552977 0.461010 0.209000
O -1.644123 -3.391656 1.406257
O 1.324557 -0.196558 0.864842
O 2.294528 1.847818 0.729927
O 5.622893 -0.625070 -1.670040
C -1.331454 -1.335539 0.038341
C -2.577159 -1.436387 -0.856891
C -1.036157 0.190404 0.270012
C -3.702864 -0.956647 0.071585
C -1.881863 -1.990965 1.368750
C -2.640406 -1.457521 -2.347922
C -3.405068 -1.704643 1.383536
C -2.312846 0.908820 0.837181
C -0.135119 -2.100953 -0.499049
C -0.621120 0.871058 -1.051517
C 0.067279 0.368924 1.340582
C -2.358107 2.389407 0.613934
C -0.379503 2.377062 -0.897408
C -1.502921 3.060344 -0.171220
C -1.585284 4.541665 -0.355805
C 2.368961 0.649210 0.578581
C 3.519021 -0.176741 0.077743
C 4.846734 0.552235 0.265048
C 5.897951 0.065165 -0.715403
C 7.300367 0.510045 -0.421431
H -4.730752 -1.067121 -0.316159
H -1.353410 -1.633617 2.276034
H -3.534991 -1.122914 -2.869268
H -1.731874 -1.441978 -2.945970
H -3.715014 -1.118720 2.263016
H -3.971610 -2.652180 1.442423
H -2.421883 0.682139 1.924708
H -0.433101 -3.089120 -0.877449
H 0.365733 -1.569873 -1.315988
H 0.615334 -2.264395 0.289810
H -1.424814 0.721073 -1.800854
H 0.287100 0.382075 -1.454145
H -0.127611 -0.229336 2.251641
H 0.213340 1.434166 1.606465
H -3.189323 2.881750 1.116355
H -0.230480 2.828879 -1.898634
H 0.574507 2.568944 -0.349416
H -1.982395 -3.826466 0.586937
H -1.908920 4.791527 -1.376764
H -0.612152 5.025651 -0.193296
H -2.300004 5.016253 0.329804
H 3.357247 -0.412206 -1.005575
H 3.533288 -1.173429 0.571427
H 5.204977 0.448754 1.308827
H 4.703884 1.650704 0.122602
H 7.966165 0.307450 -1.275683
H 7.719990 -0.029666 0.438984
H 7.369417 1.581921 -0.199270


%chk=000187692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187692

0 1
O -3.237698 -2.920279 -1.292452
O -3.565973 0.611857 0.088403
O -2.083686 -3.465806 1.546043
O 1.382714 -0.230470 0.528569
O 2.455454 1.716261 1.256859
O 5.753027 0.583414 -1.951327
C -1.544145 -1.482245 0.057866
C -2.813327 -1.527897 -0.813768
C -1.092100 0.047743 0.180028
C -3.874569 -0.835475 0.034095
C -2.186996 -2.007403 1.420867
C -2.910267 -1.803284 -2.266572
C -3.683778 -1.539222 1.398301
C -2.270752 0.900721 0.777941
C -0.410834 -2.403844 -0.435780
C -0.750349 0.670617 -1.205335
C 0.099529 0.201192 1.163452
C -2.077248 2.393947 0.658438
C -0.301182 2.146046 -1.095800
C -1.194544 2.981954 -0.193491
C -1.020905 4.483365 -0.271512
C 2.484176 0.619852 0.648162
C 3.677527 0.043897 -0.090435
C 5.008214 0.657975 0.374371
C 6.058254 0.734486 -0.737826
C 7.488029 1.018962 -0.299323
H -4.893804 -0.894286 -0.376907
H -1.649715 -1.639256 2.309589
H -3.774110 -1.431291 -2.831610
H -1.994648 -1.968816 -2.847853
H -3.945709 -0.872910 2.237895
H -4.333964 -2.428383 1.463947
H -2.394488 0.641316 1.853453
H -0.823615 -3.356600 -0.808412
H 0.168036 -1.938119 -1.250007
H 0.289501 -2.638328 0.380762
H -1.662192 0.630892 -1.828529
H 0.033303 0.083731 -1.714549
H -0.020154 -0.443441 2.050617
H 0.216108 1.247824 1.494178
H -2.726657 3.011353 1.291298
H -0.282398 2.596529 -2.108636
H 0.740980 2.219042 -0.722412
H -2.468149 -3.870296 0.723508
H -1.244480 4.853644 -1.291445
H 0.026195 4.771129 -0.051559
H -1.679069 5.012701 0.438432
H 3.554939 0.259455 -1.172590
H 3.667839 -1.055379 -0.001513
H 5.430954 0.122162 1.245569
H 4.823057 1.694530 0.729307
H 8.093188 1.353991 -1.155928
H 7.937929 0.091143 0.105933
H 7.519953 1.773104 0.507691


