%chk=000220509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220509

0 1
O -0.135393 1.433231 -1.637178
O -5.031746 0.704010 0.272631
O 5.520430 -0.447867 1.367718
C 0.356835 0.436442 -0.661755
C -0.443232 -0.867455 -0.782791
C -0.383743 1.697158 -0.222366
C -2.573140 0.420818 -0.123067
C -1.655547 -0.808619 0.163958
C 1.902202 0.424946 -0.547939
C -1.812087 1.696890 0.272941
C -3.837255 0.068522 0.752591
C -2.613099 -2.015750 0.127611
C 0.370761 -2.141937 -0.521277
C -3.964920 -1.478907 0.634446
C 2.511251 -0.972359 -0.499685
C 1.742824 -2.055389 -1.192696
C 2.312800 1.174159 0.749730
C -2.988324 0.524210 -1.597292
C 2.484003 1.117031 -1.794728
C -3.784985 0.538527 2.202702
C 3.821273 1.172276 0.984735
C 3.671522 -1.225257 0.126206
C 4.439148 -0.208239 0.870872
H -0.805359 -0.904784 -1.846468
H 0.203543 2.553679 0.139215
H -1.263921 -0.711950 1.208204
H -1.798374 1.826617 1.373971
H -2.342925 2.588350 -0.123632
H -2.245398 -2.841719 0.757138
H -2.708462 -2.422732 -0.893448
H -0.183875 -3.021732 -0.900813
H 0.495902 -2.313783 0.566959
H -4.787184 -1.742201 -0.050988
H -4.237248 -1.929075 1.602744
H 1.643248 -1.828688 -2.275080
H 2.263302 -3.032529 -1.142558
H 1.800943 0.704130 1.613473
H 1.956589 2.223623 0.709071
H -3.755818 1.294328 -1.740677
H -2.128791 0.823348 -2.223013
H -3.365322 -0.422222 -1.993131
H 2.131755 2.155148 -1.869323
H 3.578183 1.126761 -1.786208
H 2.154924 0.618916 -2.715240
H -2.921288 0.134979 2.737298
H -3.764507 1.634695 2.260832
H -4.694783 0.228571 2.736349
H 4.059077 1.599012 1.981274
H 4.334326 1.841471 0.261305
H 4.125126 -2.218023 0.132934
H -5.206539 0.495866 -0.664954


%chk=000220509-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220509

0 1
O -0.126135 1.644845 -1.342448
O -5.101451 0.862388 0.455684
O 5.559198 -0.137344 1.719961
C 0.382933 0.472967 -0.503848
C -0.421547 -0.838512 -0.747374
C -0.351063 1.636691 0.149388
C -2.621476 0.461854 -0.047428
C -1.770644 -0.835809 0.019602
C 1.961367 0.439802 -0.555283
C -1.800189 1.587358 0.621023
C -3.932164 -0.000252 0.726613
C -2.767431 -1.974613 -0.328934
C 0.341418 -2.122527 -0.321420
C -4.148217 -1.466613 0.195548
C 2.538814 -0.934395 -0.188996
C 1.820455 -2.138322 -0.752219
C 2.566500 1.534051 0.375587
C -3.023784 0.859333 -1.495672
C 2.377302 0.714549 -2.044692
C -3.833316 0.039450 2.261691
C 4.097374 1.432972 0.532451
C 3.685434 -1.080145 0.550464
C 4.520246 0.046124 1.013887
H -0.613372 -0.894142 -1.839706
H 0.249378 2.399886 0.659878
H -1.495011 -0.954847 1.091451
H -1.774961 1.442378 1.718929
H -2.263273 2.578239 0.442541
H -2.480492 -2.935671 0.132157
H -2.792769 -2.134706 -1.424265
H -0.180136 -3.000892 -0.744528
H 0.295236 -2.223806 0.781772
H -4.905869 -1.463681 -0.610817
H -4.548939 -2.108970 0.998978
H 1.877130 -2.122105 -1.860411
H 2.311228 -3.070479 -0.419491
H 2.113525 1.437406 1.381915
H 2.301110 2.534210 -0.015329
H -3.613126 1.795236 -1.479003
H -2.132234 1.053583 -2.109964
H -3.628411 0.075861 -1.992045
H 2.036351 1.719381 -2.340422
H 3.472228 0.643644 -2.165231
H 1.911459 -0.011402 -2.733856
H -2.969317 -0.536472 2.637393
H -3.757413 1.079498 2.621830
H -4.752099 -0.395319 2.691397
H 4.479063 2.186918 1.243239
H 4.605249 1.624794 -0.434462
H 4.068089 -2.082249 0.784182
H -5.319549 0.806352 -0.509116


