%chk=000215713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215713

0 1
S 4.443613 -0.151618 0.481899
O 4.343587 -2.957017 -0.620325
O 1.041214 5.227768 -1.623471
N 0.787600 -1.950083 -0.256336
N -2.091988 -2.235361 -0.048142
C -0.139868 -1.094390 -1.070269
C 0.150655 -3.292415 -0.040394
C -1.462173 -0.902153 -0.301763
C -1.167780 -3.111296 0.737327
C 2.111843 -2.083736 -0.941538
C 3.168013 -2.557568 0.083518
C -3.471979 -2.248935 0.309522
C 3.492365 -1.528677 1.164782
C -4.328453 -1.200544 -0.101572
C -4.033584 -3.365338 0.972258
C -5.698498 -1.279488 0.140292
C -5.406433 -3.424461 1.204381
C -6.248023 -2.385175 0.796375
C 3.305697 1.152175 0.169939
C 1.973675 1.128661 0.585016
C 3.834526 2.257947 -0.507327
C 1.671968 3.353749 -0.332845
C 1.157946 2.235802 0.336129
C 3.009859 3.354084 -0.762966
C 0.835961 4.562650 -0.631933
C -0.246613 4.896474 0.375180
C -0.783062 6.309140 0.183479
H 0.339150 -0.102652 -1.226566
H -0.350038 -1.521829 -2.075694
H -0.046427 -3.834802 -0.991882
H 0.844441 -3.921890 0.557655
H -1.275322 -0.352701 0.647471
H -2.151716 -0.280412 -0.918370
H -1.641906 -4.108933 0.884821
H -0.961862 -2.688214 1.745706
H 2.106165 -2.793890 -1.798164
H 2.407033 -1.099181 -1.366064
H 2.851934 -3.521004 0.559872
H 4.127470 -1.984042 1.953763
H 2.557838 -1.186904 1.660801
H -3.926860 -0.336091 -0.625974
H -3.402091 -4.192235 1.289977
H 4.775828 -2.202704 -1.078122
H -6.347706 -0.467203 -0.186654
H -5.826643 -4.292782 1.712002
H -7.315997 -2.437566 0.983926
H 1.559144 0.250740 1.092837
H 4.874482 2.272294 -0.836888
H 0.118831 2.215858 0.663646
H 3.396852 4.221339 -1.306153
H 0.143423 4.772999 1.406713
H -1.072178 4.161156 0.273681
H -1.091009 6.478717 -0.859018
H -1.646247 6.502725 0.828533
H -0.017961 7.063610 0.407226


%chk=000215713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215713

0 1
S 4.627375 -0.254528 0.183628
O 4.374177 -3.161672 -0.984679
O 1.536513 5.846777 -0.261504
N 0.800636 -1.991570 -0.420235
N -2.071046 -2.102402 0.035882
C -0.151052 -1.277704 -1.316007
C 0.144808 -3.222942 0.094521
C -1.431000 -0.906053 -0.553302
C -1.143102 -2.887659 0.869033
C 2.087752 -2.260613 -1.113778
C 3.222349 -2.733599 -0.176805
C -3.454828 -2.077776 0.357049
C 3.647742 -1.716988 0.901945
C -4.391990 -1.432348 -0.507130
C -3.967068 -2.727505 1.520821
C -5.770242 -1.442365 -0.218818
C -5.352308 -2.740698 1.792580
C -6.269121 -2.098816 0.931572
C 3.447350 1.150112 0.126044
C 2.051180 1.035157 0.323217
C 4.025982 2.424431 -0.124798
C 1.805689 3.473675 0.032154
C 1.245499 2.192762 0.281672
C 3.210868 3.566342 -0.175619
C 0.985686 4.730845 -0.021033
C -0.525720 4.635880 0.222904
C -1.239382 5.995986 0.149294
H 0.334224 -0.355030 -1.683325
H -0.419829 -1.906746 -2.200036
H -0.106571 -3.918602 -0.744474
H 0.831475 -3.751050 0.779298
H -1.169953 -0.175615 0.249831
H -2.126599 -0.406188 -1.244230
H -1.625567 -3.839215 1.150799
H -0.874902 -2.344008 1.806008
H 1.980601 -3.035910 -1.910121
H 2.408408 -1.323056 -1.610966
H 2.920587 -3.661937 0.342348
H 4.363481 -2.188558 1.594554
H 2.786600 -1.330588 1.469891
H -4.050924 -0.947641 -1.427619
H -3.289700 -3.207055 2.233263
H 4.788978 -2.343604 -1.373256
H -6.462061 -0.944361 -0.908225
H -5.712139 -3.247937 2.695504
H -7.342100 -2.107951 1.148704
H 1.581162 0.057677 0.490194
H 5.108400 2.516204 -0.267548
H 0.167302 2.082263 0.443162
H 3.639648 4.555816 -0.366199
H -0.691911 4.163939 1.213219
H -0.956804 3.931566 -0.518610
H -1.096996 6.463359 -0.839949
H -2.322344 5.876302 0.331674
H -0.830515 6.695796 0.897796


