%chk=000193750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193750

0 1
S -0.625746 -0.965195 -1.769904
O -1.536156 -1.044475 2.472953
O 3.178899 -0.889712 1.059154
O 2.525316 -2.514025 -0.410752
O -4.827677 -3.004652 0.250359
O 4.915922 -0.279946 -0.275738
O 5.078474 1.618301 -1.350568
O 5.522072 1.593668 0.915984
N -0.105046 -1.809475 0.690422
N -3.239488 -1.450178 -0.269398
C -0.826196 -2.286030 -0.531602
C 0.581647 0.068316 -0.785581
C 0.937904 -0.803618 0.460759
C -2.164170 -2.253275 0.269635
C -1.345671 -1.558760 1.420787
C -0.147525 1.329284 -0.363695
C 1.754647 0.346738 -1.697434
C 2.255768 -1.558381 0.255465
C -4.564836 -1.916131 -0.225778
C -5.602565 -0.994567 -0.835913
C 4.595908 -1.040214 0.942623
C -5.404140 0.457685 -0.511883
C 5.096463 -2.429612 0.678106
C -5.512002 0.897702 0.816930
C -5.116922 1.377434 -1.530488
C 5.208077 1.052117 -0.116694
C -5.334159 2.249178 1.120102
C -4.943599 2.729703 -1.219903
C -5.050506 3.167692 0.103193
C 5.542685 3.012848 -1.468087
C 7.051978 3.064699 -1.433449
H -0.492408 -3.266569 -0.917500
H 1.040248 -0.153642 1.380658
H -2.534729 -3.270687 0.569007
H 0.525619 2.028532 0.154342
H -0.558200 1.876639 -1.224585
H -0.989188 1.133573 0.314830
H 1.488896 1.021225 -2.523235
H 2.595521 0.821569 -1.165725
H 2.163006 -0.563486 -2.169232
H -3.001691 -0.544868 -0.679834
H -5.630560 -1.171123 -1.934435
H -6.608134 -1.326320 -0.477965
H 4.970972 -0.516140 1.850263
H 6.189142 -2.493265 0.762532
H 4.829437 -2.773169 -0.340803
H 4.650121 -3.157745 1.371439
H -5.731763 0.185296 1.612143
H -5.033493 1.046073 -2.563779
H -5.417390 2.587989 2.152565
H -4.726661 3.443160 -2.013779
H -4.916317 4.220892 0.342571
H 5.069965 3.606379 -0.665812
H 5.114225 3.263609 -2.457517
H 7.499245 2.340333 -2.128637
H 7.442362 2.833622 -0.429887
H 7.426620 4.059405 -1.706529


%chk=000193750-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000193750

0 1
S -0.679633 -0.044609 -1.372573
O -1.681457 -1.668914 2.588942
O 3.286271 -0.760747 1.123512
O 2.379590 -2.133062 -0.568160
O -4.641961 -3.433599 -0.479529
O 5.041083 -0.525926 -0.515839
O 5.498606 1.167661 -1.883812
O 5.411921 1.610379 0.423137
N -0.156660 -1.706692 0.685938
N -3.340319 -1.513722 -0.267466
C -0.787036 -1.811201 -0.651675
C 0.483627 0.587421 0.072555
C 0.917798 -0.732853 0.858948
C -2.133947 -2.228820 0.056298
C -1.386697 -1.845680 1.395751
C -0.342180 1.492468 1.012689
C 1.654896 1.359803 -0.564434
C 2.244237 -1.316954 0.360205
C -4.537816 -2.172086 -0.512000
C -5.753082 -1.277310 -0.841106
C 4.711328 -1.062260 0.814347
C -5.537339 0.224384 -0.763815
C 5.061153 -2.542062 0.821242
C -5.639790 0.905713 0.478546
C -5.206603 0.974349 -1.922683
C 5.330134 0.844545 -0.561694
C -5.419285 2.298822 0.560021
C -4.986137 2.368522 -1.845350
C -5.091602 3.035257 -0.602901
C 5.882411 2.593351 -2.158417
C 7.390906 2.790648 -2.002874
H -0.320158 -2.511121 -1.355028
H 1.019648 -0.481548 1.928381
H -2.352539 -3.309211 -0.015368
H 0.318739 1.945981 1.776967
H -0.820819 2.307121 0.442641
H -1.135944 0.929732 1.533259
H 1.274206 2.256283 -1.084447
H 2.362008 1.692173 0.218474
H 2.199004 0.744871 -1.301328
H -3.301670 -0.492049 -0.339249
H -6.085223 -1.579762 -1.851616
H -6.551624 -1.601129 -0.148562
H 5.231654 -0.471737 1.586188
H 6.157450 -2.650668 0.761126
H 4.599265 -3.060716 -0.030569
H 4.714437 -3.001967 1.762292
H -5.895408 0.340411 1.383141
H -5.125367 0.463669 -2.890135
H -5.507057 2.808802 1.525889
H -4.735925 2.931645 -2.751385
H -4.926186 4.116703 -0.541730
H 5.312858 3.247235 -1.474713
H 5.548118 2.741034 -3.196808
H 7.947795 2.085106 -2.642684
H 7.703672 2.652012 -0.954272
H 7.660851 3.818703 -2.307569


