%chk=000196209.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196209

0 1
S 0.757033 -2.110497 -1.710726
S -0.852336 -0.840949 -1.685088
O 5.744475 -0.568571 -1.181632
O 2.528180 1.082830 -1.441800
O 3.671183 3.146967 0.369737
O 2.446199 -2.666090 1.127337
O 0.583025 2.066690 0.167594
O -3.774742 -1.852563 0.750977
O -6.144329 -0.536985 0.685841
O -6.023209 2.416991 -0.002670
N 1.611444 0.250587 -0.813782
N 0.763662 -1.153058 1.463740
C 4.365902 -0.386665 -0.752019
C 5.459633 -0.669262 0.261205
C 3.857903 1.049184 -0.848055
C 3.391877 -1.437464 -1.237581
C 1.984969 -1.163557 -0.718996
C 3.890987 1.743999 0.535860
C 5.952797 0.470820 1.076826
C 5.242998 1.598117 1.186484
C 1.764030 -1.758936 0.695400
C -0.151359 -0.135998 0.897051
C 0.701965 0.866262 0.082943
C -1.302735 -0.752959 0.080822
C 0.376204 -1.750310 2.763764
C -2.547821 0.065455 0.067364
C -3.778533 -0.538162 0.379863
C -2.565685 1.435766 -0.274259
C -5.000303 0.176303 0.334443
C -3.741405 2.167649 -0.284181
C -4.977340 1.547266 0.028648
C -6.787361 -1.173919 -0.458274
C -7.331031 1.954892 0.431871
H 5.605972 -1.674975 0.666352
H 4.416793 1.645238 -1.615025
H 3.724416 -2.458482 -0.931268
H 3.411371 -1.440194 -2.355008
H 3.096300 1.336273 1.207075
H 6.924623 0.333256 1.549715
H 5.575219 2.474749 1.746073
H -0.600885 0.449913 1.755380
H -1.522013 -1.786029 0.471663
H 2.744338 3.294506 0.038984
H 0.418226 -0.986214 3.557885
H 1.085187 -2.561039 3.031464
H -0.636781 -2.184183 2.729093
H -1.623701 1.942286 -0.524041
H -3.740679 3.230226 -0.529312
H -4.698930 -2.135002 1.042333
H -6.092029 -1.849940 -0.962670
H -7.157131 -0.412054 -1.150911
H -7.611473 -1.719261 0.014009
H -7.786295 1.371939 -0.373722
H -7.859691 2.901850 0.596128
H -7.255415 1.365705 1.353296


%chk=000196209-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196209

0 1
S 0.901308 -2.438424 -1.683686
S -0.843715 -1.014159 -1.869234
O 5.941721 -0.704747 -1.038232
O 2.647860 0.867539 -1.585755
O 3.530168 3.200041 0.043441
O 2.516759 -2.675849 1.426384
O 0.619226 2.033672 -0.095637
O -3.815109 -2.106263 0.266141
O -6.211718 -0.857097 0.208769
O -6.301808 2.100622 -0.037265
N 1.810077 0.111616 -0.685052
N 0.716619 -1.182454 1.481161
C 4.518403 -0.455909 -0.631586
C 5.546529 -0.569199 0.455340
C 4.000945 0.963631 -0.930761
C 3.552445 -1.580453 -1.014583
C 2.104494 -1.294429 -0.561920
C 3.917298 1.831053 0.346041
C 6.007677 0.681184 1.124368
C 5.259786 1.816000 1.051075
C 1.805875 -1.784493 0.877848
C -0.116015 -0.162625 0.793710
C 0.777684 0.779377 -0.052380
C -1.303365 -0.802021 -0.003139
C 0.265966 -1.634594 2.810037
C -2.591390 -0.015225 0.004823
C -3.819253 -0.717073 0.122999
C -2.643499 1.397706 -0.145845
C -5.059309 -0.031877 0.094960
C -3.872362 2.088238 -0.142975
C -5.089073 1.380909 -0.005724
C -7.110650 -0.814142 -0.977905
C -7.136769 1.978377 1.182936
H 5.646912 -1.521346 0.989691
H 4.612312 1.466456 -1.698046
H 3.870147 -2.534680 -0.564550
H 3.568388 -1.674114 -2.113970
H 3.167115 1.367088 1.027628
H 6.964744 0.663330 1.657085
H 5.573223 2.760016 1.509813
H -0.544965 0.483967 1.580806
H -1.480843 -1.825566 0.363523
H 2.575759 3.183131 -0.245060
H 0.295275 -0.800460 3.534870
H 0.942769 -2.435010 3.146103
H -0.765725 -2.029871 2.758378
H -1.710041 1.961679 -0.247718
H -3.912328 3.176663 -0.240107
H -4.764563 -2.399927 0.354596
H -6.574758 -1.178078 -1.873678
H -7.467325 0.216012 -1.147875
H -7.949998 -1.482361 -0.734339
H -7.377912 0.922032 1.399038
H -8.052353 2.548467 0.966119
H -6.608938 2.426040 2.045537


