%chk=000253380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253380

0 1
O 3.246296 0.519838 -1.534491
O 4.711632 -2.970798 0.498372
O 0.633163 0.694804 -1.421523
O -1.027943 0.568774 0.729795
O -0.671913 -1.662805 0.806490
O -6.895276 -0.987558 -0.672429
C 2.701661 0.698179 -0.222372
C 3.203234 -0.504250 0.594777
C 3.221062 2.034289 0.341139
C 2.582557 -1.825482 0.135790
C 2.698974 3.253140 -0.427206
C 1.154376 0.714806 -0.332555
C 3.301575 -3.024018 0.775085
C 3.280518 4.557917 0.134993
C 0.379188 0.779189 0.972934
C 2.728940 -4.351741 0.286565
C 2.757190 5.776308 -0.621398
C -1.449389 -0.753281 0.612365
C -2.878910 -0.807039 0.280146
C -3.525404 -2.056300 0.321664
C -3.591252 0.353000 -0.089167
C -4.878342 -2.157613 0.009227
C -4.940607 0.273781 -0.405114
C -5.567747 -0.986281 -0.350439
H 3.035941 -0.344750 1.674669
H 4.310722 -0.571936 0.467772
H 4.331681 2.014998 0.278187
H 2.982235 2.118890 1.416480
H 2.636803 -1.889144 -0.971031
H 1.499119 -1.874072 0.382634
H 2.968751 3.154725 -1.499317
H 1.593682 3.295182 -0.398528
H 3.293810 -2.963224 1.888239
H 3.034810 4.651544 1.210660
H 4.387125 4.531274 0.078498
H 2.581799 0.747799 -2.234082
H 0.398468 1.799616 1.406241
H 0.746799 0.040850 1.714590
H 2.729936 -4.429656 -0.805707
H 1.694456 -4.490017 0.622039
H 3.321611 -5.191357 0.671416
H 3.018542 5.734181 -1.685504
H 3.179731 6.703927 -0.218582
H 1.666223 5.857818 -0.556549
H 4.883025 -2.962869 -0.462439
H -2.954354 -2.947992 0.601104
H -3.067432 1.314559 -0.126687
H -5.382156 -3.118496 0.040761
H -5.517374 1.150688 -0.694668
H -7.297833 -1.893101 -0.629043


%chk=000253380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253380

0 1
O 3.222223 0.556441 -1.595491
O 4.951112 -2.942926 0.562234
O 0.581612 0.463216 -1.459302
O -1.117663 0.678124 0.714097
O -0.790939 -1.632228 0.719264
O -7.130480 -0.998060 -0.606362
C 2.676988 0.680120 -0.240542
C 3.197279 -0.520749 0.607880
C 3.165611 2.031746 0.360481
C 2.732181 -1.899749 0.098553
C 2.713767 3.279502 -0.427309
C 1.134822 0.641540 -0.342039
C 3.488024 -3.059346 0.782640
C 3.322227 4.584859 0.133254
C 0.321836 0.822797 0.942318
C 2.974369 -4.438238 0.334164
C 2.881195 5.836397 -0.655599
C -1.565863 -0.653622 0.570088
C -3.011174 -0.723212 0.265445
C -3.614401 -2.004437 0.165919
C -3.803972 0.440773 0.065597
C -4.984360 -2.127763 -0.122411
C -5.173089 0.327740 -0.223563
C -5.762824 -0.957071 -0.316276
H 2.907853 -0.383551 1.669573
H 4.302004 -0.480995 0.567392
H 4.271816 1.985817 0.365801
H 2.846608 2.105596 1.420767
H 2.905934 -1.953700 -0.995764
H 1.645554 -2.036918 0.264850
H 3.012064 3.152593 -1.485194
H 1.605923 3.366916 -0.419798
H 3.400649 -2.966353 1.881314
H 3.037224 4.699126 1.199756
H 4.428201 4.505108 0.114314
H 2.445309 0.443323 -2.215012
H 0.450620 1.847746 1.329686
H 0.666768 0.097795 1.702541
H 3.053995 -4.549329 -0.765131
H 1.911778 -4.571294 0.608967
H 3.565357 -5.240543 0.808745
H 3.180741 5.759458 -1.717573
H 3.334078 6.755952 -0.241792
H 1.781828 5.958323 -0.626435
H 5.117471 -2.996009 -0.414759
H -2.991463 -2.891897 0.316255
H -3.333427 1.424806 0.134233
H -5.445470 -3.120746 -0.198108
H -5.800236 1.209047 -0.383595
H -7.459955 -1.929827 -0.660275


