%chk=000190142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190142

0 1
O -0.160341 -0.069692 -0.792971
O -2.039183 1.432294 -0.541613
O -1.042282 -0.850270 -2.723196
O -3.861892 2.376530 -1.493503
C 0.154508 1.205069 -1.439523
C 1.222714 1.843838 -0.581581
C -1.174825 1.993198 -1.586497
C 2.382128 1.076336 -0.160265
C 1.120532 3.178860 -0.255299
C 3.369852 1.720879 0.658515
C -1.057192 3.466792 -1.348174
C -0.002540 4.000978 -0.721794
C 2.127375 3.814560 0.559402
C 2.594887 -0.260685 -0.530591
C 3.199210 3.111532 1.010018
C 3.722923 -0.973599 -0.098367
C 4.496018 1.010425 1.097904
C 4.690471 -0.330178 0.737457
C 3.938088 -2.352378 -0.475533
C 5.842591 -1.082436 1.178510
C -0.807211 -1.030551 -1.549362
C -3.395828 1.674456 -0.624573
C 5.038302 -3.028312 -0.040589
C 6.008061 -2.381730 0.802762
C -1.094166 -2.218514 -0.713397
C -4.096813 0.961514 0.469071
C -1.914902 -3.224458 -1.248696
C -0.563945 -2.346220 0.579732
C -5.471873 1.190740 0.638907
C -3.414237 0.072308 1.313031
C -2.203452 -4.357655 -0.485320
C -0.855973 -3.483794 1.335294
C -6.160474 0.529026 1.657397
C -4.111234 -0.586463 2.328711
C -1.674506 -4.486911 0.803862
C -5.480793 -0.357816 2.500614
H 0.561548 0.985515 -2.460199
H -1.654873 1.762203 -2.569742
H -1.917139 4.053892 -1.678838
H 0.063953 5.074210 -0.531984
H 1.997871 4.867497 0.809112
H 1.868678 -0.770328 -1.166167
H 3.957910 3.578392 1.638153
H 5.233867 1.509374 1.725945
H 3.196516 -2.829884 -1.115101
H 6.568831 -0.580011 1.815584
H 5.210829 -4.066878 -0.318730
H 6.872171 -2.959238 1.127722
H -2.320264 -3.112117 -2.258109
H 0.074869 -1.554123 0.984096
H -5.990845 1.883352 -0.028957
H -2.341448 -0.096385 1.167132
H -2.840651 -5.140356 -0.895137
H -0.443493 -3.589851 2.337819
H -7.226632 0.703235 1.794228
H -3.586397 -1.278221 2.985616
H -1.900639 -5.373694 1.396477
H -6.021763 -0.872758 3.294537


%chk=000190142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190142

0 1
O -0.238307 -0.404166 -1.141044
O -2.034522 1.444642 -0.211828
O -0.875856 -0.883348 -3.337423
O -4.098906 1.905309 -1.195735
C -0.015372 1.009670 -1.539623
C 1.060667 1.692266 -0.688283
C -1.385430 1.714682 -1.552862
C 2.204560 1.019362 -0.095179
C 0.972769 3.101667 -0.628700
C 3.202507 1.829893 0.616770
C -1.249515 3.202331 -1.742232
C -0.133438 3.827171 -1.273003
C 1.979299 3.874366 0.053049
C 2.444326 -0.381521 -0.171158
C 3.050677 3.259193 0.673449
C 3.573587 -0.995001 0.424591
C 4.323601 1.212029 1.221289
C 4.540277 -0.183404 1.151451
C 3.792782 -2.417831 0.336184
C 5.678247 -0.825819 1.757858
C -0.703598 -1.262730 -2.152051
C -3.425256 1.577763 -0.185040
C 4.903136 -3.006555 0.933186
C 5.856480 -2.201869 1.652256
C -0.937645 -2.640585 -1.639292
C -3.988743 1.283562 1.164599
C -1.334353 -3.636381 -2.570257
C -0.779784 -2.971887 -0.267184
C -5.396986 1.349544 1.327392
C -3.161106 0.947548 2.267702
C -1.565744 -4.956032 -2.133750
C -1.012930 -4.294868 0.163206
C -5.974320 1.079275 2.584695
C -3.744211 0.680137 3.524353
C -1.404097 -5.287724 -0.766721
C -5.149054 0.744506 3.685269
H 0.320251 1.005574 -2.601264
H -2.031354 1.262492 -2.323692
H -2.095410 3.745484 -2.171620
H -0.045199 4.918899 -1.337347
H 1.871384 4.964860 0.077095
H 1.734538 -1.017847 -0.698490
H 3.808244 3.848923 1.202181
H 5.049161 1.842316 1.751203
H 3.065121 -3.029229 -0.211093
H 6.403831 -0.210970 2.303868
H 5.060394 -4.088253 0.860098
H 6.724884 -2.683482 2.115196
H -1.454922 -3.354521 -3.621422
H -0.488513 -2.193080 0.443330
H -6.013178 1.611781 0.460972
H -2.077452 0.903942 2.127697
H -1.872011 -5.723666 -2.852255
H -0.894599 -4.551837 1.221234
H -7.061388 1.129378 2.709277
H -3.106789 0.423145 4.377371
H -1.585569 -6.313740 -0.427418
H -5.598272 0.536135 4.662944


