%chk=000193169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193169

0 1
O 3.406370 -0.232416 1.537998
O 5.062689 -0.305459 -1.560006
O -6.715595 -0.184554 0.225616
O 4.525779 0.414995 2.121558
C 1.910891 -0.327586 -0.294888
C 1.141666 0.973820 0.091135
C -0.317355 0.912515 -0.374635
C -1.005928 -0.295624 0.319408
C 3.377202 0.074689 0.114113
C -2.477698 -0.452513 -0.196902
C 1.289807 -1.482841 0.504841
C -0.205343 -1.608490 0.167461
C 2.046591 2.107493 -0.418598
C 3.478835 1.592371 -0.153637
C -1.059488 2.211502 -0.009124
C -3.192040 0.896751 -0.158785
C 1.899422 -0.632383 -1.797573
C -3.199072 -1.461385 0.740334
C -2.545731 2.068526 -0.088743
C -2.510696 -0.952375 -1.653362
C 4.471755 -0.743004 -0.599864
C -4.690666 0.872122 -0.287479
C -4.707827 -1.542179 0.503041
C -5.334791 -0.150434 0.654353
C 4.747209 -2.111734 -0.049596
H 1.138606 1.040387 1.213366
H -0.359342 0.773877 -1.480988
H -1.059826 -0.058932 1.411932
H 1.424211 -1.305922 1.591911
H 1.804037 -2.435961 0.289453
H -0.310725 -1.990561 -0.868854
H -0.653245 -2.383340 0.819436
H 1.853484 3.054792 0.108262
H 1.885730 2.305913 -1.491318
H 4.146928 1.799176 -1.010506
H 3.929773 2.090319 0.725695
H -0.722232 3.029268 -0.677769
H -0.787047 2.536052 1.018237
H 2.470122 0.109298 -2.372727
H 2.321310 -1.617139 -2.020431
H 0.875627 -0.620343 -2.194229
H -3.009359 -1.176329 1.794117
H -2.754579 -2.466462 0.611120
H -3.087013 3.014619 -0.076642
H -2.056015 -0.220372 -2.330773
H -1.968817 -1.896940 -1.770668
H -3.538969 -1.117734 -1.994383
H -5.139014 1.869389 -0.102698
H -4.971870 0.628764 -1.336522
H -4.922982 -1.936245 -0.510437
H -5.167668 -2.257750 1.207576
H -5.314349 0.195022 1.710499
H 4.289062 -2.284327 0.933200
H 4.361196 -2.882513 -0.733648
H 5.828377 -2.293774 0.031554
H -7.228815 -0.817168 0.755919
H 5.125918 -0.373272 2.280748


%chk=000193169-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193169

0 1
O 3.351964 -0.221865 1.541897
O 5.105441 -0.515429 -1.607285
O -6.819714 -0.046581 0.590050
O 4.690371 0.258153 2.140620
C 1.956486 -0.390771 -0.427159
C 1.174439 0.901331 -0.023421
C -0.312375 0.891136 -0.434936
C -1.013321 -0.370231 0.162702
C 3.419592 0.011245 0.073594
C -2.530488 -0.469318 -0.255396
C 1.282842 -1.599347 0.268889
C -0.216878 -1.675886 -0.128106
C 2.080271 2.055603 -0.511034
C 3.531514 1.526838 -0.270409
C -1.016249 2.175363 0.063247
C -3.218178 0.904030 -0.105107
C 2.017417 -0.605608 -1.964754
C -3.243455 -1.483419 0.707274
C -2.524262 2.064077 0.049737
C -2.689158 -0.949857 -1.732003
C 4.551640 -0.856650 -0.527983
C -4.742399 0.919628 -0.152262
C -4.783553 -1.501129 0.574631
C -5.362394 -0.096462 0.821276
C 4.951851 -2.114361 0.219720
H 1.188755 0.923736 1.089108
H -0.393118 0.864128 -1.541349
H -1.004561 -0.222683 1.268174
H 1.373986 -1.495530 1.366304
H 1.779506 -2.549126 -0.012083
H -0.290681 -1.929078 -1.201982
H -0.676678 -2.519776 0.420865
H 1.889381 2.997451 0.032547
H 1.908211 2.258443 -1.585175
H 4.175699 1.650087 -1.157132
H 4.033773 2.039881 0.567895
H -0.701258 3.041415 -0.553155
H -0.672327 2.406246 1.096829
H 2.620112 0.164791 -2.473225
H 2.474059 -1.583056 -2.204176
H 1.007512 -0.593562 -2.406090
H -2.977632 -1.218740 1.752167
H -2.852681 -2.502279 0.525564
H -3.088144 3.001105 0.172526
H -2.057826 -0.350527 -2.412158
H -2.410021 -2.013422 -1.845975
H -3.731244 -0.845933 -2.080081
H -5.124896 1.930411 0.075688
H -5.114341 0.658255 -1.164335
H -5.090722 -1.836211 -0.434869
H -5.209540 -2.225205 1.299651
H -5.135515 0.208428 1.868451
H 4.065933 -2.692375 0.536149
H 5.613820 -2.726397 -0.412292
H 5.479307 -1.827628 1.148650
H -7.259697 -0.707419 1.183446
H 4.337924 0.837679 2.873378


