%chk=000256935.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256935

0 1
S -2.696196 0.264979 0.877444
O 0.978554 -0.931993 -1.842291
O 3.323110 0.769484 -1.412372
O 3.674233 1.789816 1.277735
O -2.070342 2.100159 -1.631150
O -3.409127 3.425346 -0.422594
C -0.771088 -1.593834 0.081586
C -1.938420 -0.742537 -0.448593
C -1.115389 -2.515087 1.264104
C -3.052342 -1.557959 -1.103512
C -2.227900 -3.521801 0.946208
C -4.121513 -2.168512 -0.188760
C -3.625667 -2.903620 1.063848
C 0.407787 -0.694998 0.399270
C 1.323616 -0.370004 -0.640129
C 0.630912 -0.170391 1.672377
C -1.879428 1.872665 0.700496
C 2.434764 0.457659 -0.385523
C 1.703715 0.687209 1.935551
C 2.596128 1.005128 0.908467
C -2.559347 2.569066 -0.423871
C 1.778016 -0.628860 -3.015189
C 4.626963 0.139968 -1.236081
C 3.907150 2.965876 0.454428
H -0.458753 -2.264763 -0.772784
H -1.524638 -0.036648 -1.223558
H -0.198003 -3.064293 1.557926
H -1.400586 -1.915732 2.152523
H -2.583339 -2.371330 -1.698928
H -3.570649 -0.913641 -1.847025
H -2.083103 -3.958638 -0.059564
H -2.149907 -4.372681 1.652254
H -4.834866 -1.377130 0.124363
H -4.722684 -2.871528 -0.802371
H -3.647668 -2.211842 1.931182
H -4.354610 -3.700401 1.313955
H -0.058714 -0.418559 2.484791
H -0.785741 1.765913 0.534204
H -2.009989 2.429871 1.653811
H 1.859974 1.104811 2.927835
H 1.892324 0.454864 -3.133500
H 2.752460 -1.116332 -2.930629
H 1.169748 -1.065492 -3.815338
H 5.187575 0.523763 -2.093558
H 5.072735 0.458359 -0.286830
H 4.522450 -0.946897 -1.274071
H 4.881085 3.310983 0.817614
H 3.938547 2.708551 -0.610721
H 3.121802 3.697929 0.662102
H -2.520740 2.517501 -2.411333


%chk=000256935-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256935

0 1
S -2.706878 0.366717 0.790495
O 1.084891 -0.938140 -1.816527
O 3.405245 0.695936 -1.355301
O 3.891225 1.681963 1.311440
O -1.861213 2.082423 -2.040256
O -3.267783 3.529946 -0.887392
C -0.713685 -1.682492 0.220411
C -1.862661 -0.850801 -0.438348
C -1.133671 -2.549458 1.429968
C -2.932824 -1.702841 -1.162352
C -2.269343 -3.570062 1.162839
C -4.067898 -2.344710 -0.319676
C -3.674150 -2.921270 1.067634
C 0.491964 -0.784837 0.523947
C 1.357845 -0.397163 -0.543935
C 0.796178 -0.316690 1.825078
C -1.800299 1.986794 0.369827
C 2.504114 0.407744 -0.296741
C 1.896678 0.532094 2.073131
C 2.748821 0.903830 1.014651
C -2.398513 2.633947 -0.853358
C 1.049682 -0.002243 -2.966724
C 4.682163 -0.052357 -1.246428
C 3.981657 2.975970 0.596316
H -0.395332 -2.371855 -0.589420
H -1.407956 -0.183267 -1.189300
H -0.231644 -3.089299 1.781201
H -1.459923 -1.897730 2.265236
H -2.378998 -2.499425 -1.701074
H -3.406752 -1.072843 -1.939962
H -2.051700 -4.163130 0.250408
H -2.274418 -4.290759 2.004584
H -4.866864 -1.593963 -0.166664
H -4.513370 -3.150568 -0.936922
H -3.726461 -2.115717 1.828130
H -4.445184 -3.661934 1.358832
H 0.150685 -0.601329 2.660160
H -0.732426 1.760918 0.239411
H -1.954053 2.639874 1.240972
H 2.115038 0.908406 3.076875
H 0.282859 0.777080 -2.795749
H 2.037220 0.460650 -3.121863
H 0.768260 -0.628280 -3.827751
H 5.283939 0.260812 -2.113575
H 5.199249 0.205742 -0.304605
H 4.488889 -1.140072 -1.290293
H 4.936217 3.419599 0.918214
H 3.972201 2.824144 -0.497351
H 3.142943 3.633721 0.894934
H -2.321066 2.499322 -2.819329


