%chk=000235947.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235947

0 1
O 2.942312 0.505012 -0.122479
O 4.482586 -0.953551 0.659852
C -2.428272 -0.196294 0.308813
C -1.251880 0.352861 -0.571298
C -1.143952 1.870855 -0.234342
C -3.402946 1.021574 0.369609
C -2.581495 2.299736 0.144845
C -3.146919 -1.403328 -0.377368
C 0.072788 -0.408286 -0.448617
C -1.964803 -0.553166 1.726628
C -0.157401 2.205528 0.886855
C 1.097052 0.039927 -1.499520
C -2.299782 -2.681698 -0.409008
C -4.495839 -1.721174 0.287990
C 2.504758 -0.454946 -1.163857
C 3.484420 -0.354362 -2.320930
C 3.951536 0.131657 0.726790
C 4.230186 1.245359 1.677532
H -1.584335 0.282360 -1.637423
H -0.821616 2.415492 -1.151439
H -3.935069 1.053524 1.333293
H -4.184013 0.936641 -0.405475
H -3.026130 2.914116 -0.655267
H -2.586727 2.932784 1.047674
H -3.350496 -1.104694 -1.437502
H 0.499710 -0.281803 0.565977
H -0.118814 -1.500028 -0.559858
H -1.448698 0.301164 2.189971
H -2.810189 -0.821612 2.367941
H -1.271644 -1.399413 1.730949
H -0.163145 3.275281 1.115349
H -0.412230 1.661398 1.808351
H 0.870947 1.930494 0.615209
H 0.800487 -0.316290 -2.503757
H 1.115179 1.148982 -1.566937
H -2.184724 -3.116563 0.589771
H -2.761709 -3.443486 -1.045228
H -1.289393 -2.490349 -0.802567
H -4.377508 -1.926366 1.357553
H -4.958205 -2.605182 -0.164463
H -5.208426 -0.896975 0.187130
H 2.515268 -1.467848 -0.704542
H 3.585671 0.676982 -2.679918
H 4.485618 -0.691653 -2.014237
H 3.176195 -0.976726 -3.168145
H 3.556476 2.103469 1.527795
H 5.264425 1.604895 1.561557
H 4.120848 0.904504 2.718643


%chk=000235947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235947

0 1
O 3.049038 0.449928 -0.037872
O 4.474334 -1.212547 0.776302
C -2.513278 -0.181819 0.308141
C -1.282138 0.421513 -0.484795
C -1.327111 1.998131 -0.272087
C -3.535236 1.001547 0.249882
C -2.698534 2.285752 0.419418
C -3.138131 -1.433912 -0.418201
C 0.104557 -0.217193 -0.211578
C -2.141503 -0.485442 1.783642
C -0.170576 2.634697 0.535468
C 1.088978 -0.012862 -1.386993
C -2.184898 -2.637291 -0.629865
C -4.435139 -1.937914 0.268823
C 2.514733 -0.497294 -1.087735
C 3.458198 -0.467067 -2.297046
C 4.038122 -0.038285 0.819536
C 4.504367 1.048751 1.765765
H -1.511758 0.244549 -1.560058
H -1.325852 2.473507 -1.273666
H -4.327219 0.913977 1.015746
H -4.033265 1.000357 -0.741511
H -3.201775 3.175127 -0.002868
H -2.533013 2.493397 1.494528
H -3.425824 -1.070881 -1.430505
H 0.549758 0.201134 0.708788
H 0.000812 -1.303141 -0.033876
H -1.712700 0.406233 2.275866
H -3.031953 -0.786831 2.364559
H -1.395417 -1.296033 1.864999
H -0.335984 3.726144 0.616590
H -0.129531 2.231800 1.565380
H 0.819958 2.478685 0.072629
H 0.721012 -0.566884 -2.275262
H 1.133705 1.054633 -1.677935
H -1.775712 -3.011023 0.327679
H -2.738545 -3.473863 -1.097209
H -1.339477 -2.390787 -1.295867
H -4.218711 -2.393456 1.253254
H -4.917847 -2.715016 -0.353105
H -5.169030 -1.127100 0.421223
H 2.507810 -1.507426 -0.634179
H 3.516126 0.550612 -2.722623
H 4.471837 -0.795372 -2.011508
H 3.086457 -1.150948 -3.082008
H 3.676674 1.726893 2.026389
H 5.292040 1.648807 1.274014
H 4.931742 0.593012 2.671630


