%chk=000255379.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255379

0 1
S 0.909328 -0.819999 -0.196400
O -1.001413 3.410304 1.641221
O 0.958102 0.661030 0.626909
O -2.374929 1.007977 -0.077353
O -0.786497 4.011933 -0.602971
O 0.396633 -0.512241 -1.512423
O 0.176910 -1.727309 0.654116
C -0.278028 1.212568 1.085549
C -1.148530 1.742737 -0.087519
C 0.070024 2.468550 1.939854
C -1.509606 3.193850 0.319544
C 1.406425 3.096392 1.596083
C -2.660098 0.262683 -1.299487
C 2.578911 -1.171175 -0.230353
C -0.894652 5.428790 -0.353037
C -3.573865 -0.847845 -0.859138
C 3.152492 -1.956064 0.779744
C 3.380640 -0.675071 -1.267612
C -3.101216 -1.842608 0.009921
C -4.896331 -0.895946 -1.323543
C 4.515789 -2.241609 0.756288
C 4.744892 -0.957594 -1.295174
C 5.324537 -1.741473 -0.281012
C -3.947947 -2.881299 0.405016
C -5.736666 -1.941096 -0.929052
C -5.264426 -2.934169 -0.065143
C 6.781059 -2.055585 -0.314743
H -0.829842 0.441116 1.671421
H -0.619368 1.700112 -1.065394
H -0.054859 2.286088 3.026744
H -2.580337 3.452880 0.363888
H 1.643193 3.926378 2.268966
H 1.386745 3.499429 0.570235
H 2.217679 2.358557 1.640484
H -1.719532 -0.128156 -1.744895
H -3.133775 0.971665 -2.000176
H -0.190800 5.857357 -1.074448
H -0.592232 5.650533 0.676856
H -1.916518 5.764386 -0.549209
H 2.526642 -2.353105 1.588243
H 2.934321 -0.067733 -2.064353
H -2.071597 -1.803189 0.382376
H -5.272574 -0.120428 -1.987245
H 4.955212 -2.854008 1.542387
H 5.362165 -0.570582 -2.104733
H -3.578509 -3.650420 1.081052
H -6.761343 -1.978560 -1.292595
H -5.920378 -3.745266 0.242535
H 6.965364 -2.987408 -0.874155
H 7.372945 -1.268508 -0.803755
H 7.207161 -2.197270 0.688884


%chk=000255379-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000255379

0 1
S 0.984942 -0.923423 0.042680
O -0.845193 3.565858 1.834229
O 1.271912 0.798005 0.790651
O -1.993331 0.702275 0.272129
O -1.329324 4.050356 -0.506840
O 0.390962 -0.755294 -1.458287
O 0.243347 -1.876555 1.125149
C 0.064416 1.455668 1.293083
C -0.997761 1.764698 0.212494
C 0.462670 2.847560 1.871908
C -1.560986 3.151811 0.609697
C 1.558954 3.583192 1.091490
C -2.694293 0.469524 -1.011538
C 2.800140 -1.366356 -0.062617
C -1.852038 5.405407 -0.272636
C -3.623879 -0.713680 -0.836840
C 3.388421 -2.018100 1.032377
C 3.489283 -1.042644 -1.241465
C -3.206853 -1.855979 -0.106696
C -4.906867 -0.704036 -1.436763
C 4.752744 -2.364872 0.927153
C 4.852558 -1.400968 -1.318150
C 5.501727 -2.063238 -0.242032
C -4.066940 -2.969677 0.014546
C -5.762788 -1.823586 -1.322838
C -5.344349 -2.960696 -0.594817
C 6.958951 -2.470348 -0.352135
H -0.416239 0.838860 2.076662
H -0.533641 1.830885 -0.791529
H 0.720245 2.776619 2.941649
H -2.633193 3.131429 0.888240
H 1.701852 4.589375 1.522377
H 1.287647 3.692689 0.028416
H 2.510810 3.027187 1.158311
H -1.923522 0.258953 -1.783083
H -3.261070 1.375792 -1.310238
H -1.647509 5.971471 -1.194132
H -1.344189 5.877546 0.587938
H -2.945180 5.379010 -0.083714
H 2.799991 -2.256719 1.923770
H 2.975458 -0.544447 -2.069280
H -2.221030 -1.859197 0.370118
H -5.240719 0.181001 -1.993541
H 5.241045 -2.874961 1.765067
H 5.418142 -1.161363 -2.225571
H -3.739004 -3.846895 0.584127
H -6.753004 -1.804675 -1.792431
H -6.007371 -3.828338 -0.499448
H 7.049319 -3.486224 -0.783049
H 7.524049 -1.785198 -1.007217
H 7.451992 -2.488103 0.635022


