%chk=000183915.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183915

0 1
O -3.221551 -0.378650 0.738373
O 0.066594 -0.657936 -0.684030
O -1.407653 1.159008 -2.060532
O 1.803461 -2.956156 -1.009415
O 1.190514 1.555125 0.567361
O 5.511559 -0.384556 0.616802
O -4.484669 -1.833344 -0.450799
O 0.826358 3.575832 1.325750
C -2.348314 1.122744 -0.975928
C -2.230435 -0.298685 -0.331183
C -0.915299 -0.572824 0.406690
C -2.051579 2.240311 0.016618
C -3.701424 1.286173 -1.664536
C -6.493088 -0.259849 1.498976
C -5.200502 -1.068229 1.772547
C 1.376941 -0.639480 -0.258980
C -4.334843 -1.178875 0.551764
C 2.210342 -1.740336 -0.490904
C 2.000338 0.501391 0.296089
C 3.622497 -1.746907 -0.233233
C 3.393905 0.546497 0.581021
C 4.203634 -0.591261 0.300545
C -6.160077 1.181017 1.106022
C -7.356861 -0.944563 0.438210
C 4.072365 -3.068727 -0.636343
C 3.934677 1.762792 1.135932
C 2.981175 -3.745153 -1.084281
C 3.134322 2.820768 1.400919
C 1.712431 2.789711 1.150008
C 6.478360 -1.438944 0.372083
H -2.427406 -1.081105 -1.104041
H -0.930167 -1.541348 0.931213
H -0.635924 0.239225 1.100969
H -0.992182 2.262849 0.318046
H -2.654762 2.138682 0.925474
H -2.257754 3.224269 -0.420961
H -3.723554 2.214223 -2.249677
H -3.891520 0.467656 -2.371716
H -4.526108 1.311871 -0.934395
H -7.067119 -0.237925 2.461593
H -4.634635 -0.593780 2.603277
H -5.462015 -2.092204 2.113202
H -0.489212 0.965246 -1.745824
H -5.574660 1.688238 1.880808
H -7.068171 1.769589 0.937952
H -5.565471 1.228385 0.175044
H -8.255265 -0.360453 0.213708
H -7.680417 -1.940462 0.759289
H -6.812086 -1.081597 -0.507765
H 5.080594 -3.430963 -0.585422
H 5.013014 1.793956 1.333118
H 2.778706 -4.717556 -1.479947
H 3.513554 3.756291 1.817807
H 7.409690 -0.961975 0.708788
H 6.518837 -1.671522 -0.696659
H 6.240455 -2.315084 0.982971


%chk=000183915-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183915

0 1
O -3.364599 0.832409 0.290979
O 0.189237 0.475600 -0.734647
O -1.516060 0.305611 -2.920542
O 1.733695 -1.449951 -2.153867
O 1.338518 1.486990 1.706219
O 5.282439 -1.263407 1.143792
O -3.346319 -1.205949 1.429439
O 1.146254 2.889425 3.527532
C -2.414526 1.023452 -1.986816
C -2.253630 0.347256 -0.591490
C -0.966765 0.681741 0.189229
C -2.080503 2.530215 -1.961220
C -3.825852 0.770058 -2.541884
C -6.352364 -0.162020 1.808635
C -4.980068 0.549934 2.053670
C 1.409660 0.046364 -0.212122
C -3.835464 -0.063042 1.270243
C 2.164763 -0.884375 -0.945998
C 2.031869 0.522325 0.967529
C 3.462013 -1.379960 -0.593122
C 3.319732 0.052957 1.392459
C 4.042500 -0.903489 0.611416
C -6.739639 -0.150567 0.310972
C -6.384748 -1.593930 2.391504
C 3.820216 -2.306680 -1.668770
C 3.850465 0.595592 2.622693
C 2.778098 -2.316146 -2.565010
C 3.163266 1.532930 3.363291
C 1.861740 2.046681 2.957040
C 6.119126 -2.251263 0.454725
H -2.349900 -0.746967 -0.718054
H -0.870479 0.009999 1.059290
H -0.963736 1.729641 0.528410
H -1.021945 2.704753 -1.698555
H -2.717221 3.064903 -1.232748
H -2.255238 2.957122 -2.963673
H -3.854202 1.097826 -3.595256
H -4.064259 -0.308068 -2.514884
H -4.587177 1.322509 -1.967259
H -7.097580 0.448660 2.359624
H -5.060434 1.616797 1.785738
H -4.730348 0.474795 3.128856
H -0.602169 0.298855 -2.523187
H -6.716546 0.872784 -0.107659
H -7.758846 -0.555011 0.171453
H -6.047400 -0.776140 -0.283657
H -7.381999 -2.047664 2.241170
H -6.170963 -1.589789 3.476572
H -5.631376 -2.237994 1.905608
H 4.727208 -2.893147 -1.776901
H 4.828676 0.238146 2.955880
H 2.598818 -2.840131 -3.499328
H 3.564650 1.940758 4.294028
H 7.008642 -2.358723 1.092047
H 6.420346 -1.887737 -0.544520
H 5.600024 -3.223539 0.373521


