%chk=000229242.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229242

0 1
O -8.272803 -0.202783 0.624622
O 8.274653 -0.253876 -0.607773
C -0.492237 -0.076157 -0.584820
C 0.494298 -0.037493 0.590222
C -1.945400 -0.058654 -0.094751
C 1.947462 -0.054259 0.100129
C -2.936436 -0.098211 -1.269270
C 2.938498 -0.016680 1.274714
C -4.356053 -0.081568 -0.773439
C 4.358114 -0.034884 0.778936
C -5.036055 1.130243 -0.606515
C 5.039614 1.162260 0.531641
C -5.009492 -1.290306 -0.461653
C 5.010039 -1.262526 0.548436
C -6.355780 1.158496 -0.140494
C 6.359353 1.157751 0.064828
C -6.318662 -1.290999 0.002753
C 6.319188 -1.295797 0.085165
C -6.981866 -0.055515 0.158421
C 6.983919 -0.074260 -0.152478
C -9.058220 0.995836 0.823649
C 9.061550 0.927836 -0.886213
H -0.311359 -0.980319 -1.197843
H -0.309978 0.784224 -1.257379
H 0.312996 0.865994 1.203941
H 0.312463 -0.898595 1.262130
H -2.131689 -0.918365 0.578065
H -2.131011 0.844925 0.517903
H 2.134058 0.806344 -0.571285
H 2.132767 -0.957041 -0.513985
H -2.752821 0.758899 -1.948095
H -2.754606 -1.000342 -1.887910
H 2.755972 0.883994 1.894895
H 2.755575 -0.875348 1.952097
H -4.536544 2.070059 -0.840123
H 4.541279 2.116177 0.702068
H -4.481908 -2.235969 -0.585181
H 4.481286 -2.197197 0.734697
H -6.865555 2.107327 -0.019681
H 6.870300 2.095786 -0.118940
H -6.840228 -2.213032 0.247200
H 6.839600 -2.232719 -0.097259
H -9.195867 1.522586 -0.124837
H -8.594198 1.633463 1.581351
H -10.009117 0.583757 1.185719
H 8.598291 1.514117 -1.684750
H 10.011921 0.491360 -1.219970
H 9.199888 1.516461 0.025061


%chk=000229242-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229242

0 1
O -8.443630 -0.186045 0.699268
O 8.436096 -0.275123 -0.665616
C -0.522878 -0.123751 -0.601675
C 0.500801 -0.001054 0.549608
C -1.988889 -0.083959 -0.116831
C 1.967539 -0.043604 0.067277
C -3.014757 -0.192221 -1.279833
C 2.989324 0.073097 1.232488
C -4.457831 -0.160905 -0.798845
C 4.436188 0.016588 0.764342
C -5.157407 1.060742 -0.652632
C 5.223332 1.186130 0.648285
C -5.135018 -1.356911 -0.434866
C 5.032426 -1.220484 0.392889
C -6.482286 1.108036 -0.158614
C 6.557580 1.144539 0.177314
C -6.452724 -1.334953 0.057727
C 6.356020 -1.286762 -0.076914
C -7.131292 -0.098768 0.199602
C 7.124331 -0.100290 -0.187891
C -9.183773 1.064809 0.867668
C 9.271117 0.920089 -0.787916
H -0.343593 -1.070520 -1.153282
H -0.354608 0.696027 -1.331548
H 0.321876 0.946651 1.099706
H 0.331028 -0.819534 1.280634
H -2.167647 -0.909512 0.601739
H -2.173211 0.856928 0.440398
H 2.148807 0.776613 -0.656528
H 2.150959 -0.988767 -0.483134
H -2.831033 0.639767 -1.988676
H -2.819447 -1.131229 -1.835194
H 2.803589 1.022273 1.772798
H 2.790350 -0.745460 1.953936
H -4.661875 1.999020 -0.932950
H 4.790842 2.153504 0.933176
H -4.621715 -2.320459 -0.544195
H 4.450127 -2.146451 0.480137
H -6.988853 2.073516 -0.064688
H 7.133732 2.072275 0.106244
H -6.977050 -2.255076 0.334072
H 6.818059 -2.238156 -0.358452
H -9.319392 1.588831 -0.099087
H -8.678267 1.740490 1.585592
H -10.164565 0.767534 1.267474
H 8.835607 1.647089 -1.501618
H 10.236937 0.558943 -1.171217
H 9.420273 1.411503 0.193828


