%chk=000200811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200811

0 1
S 3.813973 -0.426738 -0.711645
O -1.978969 0.636229 -0.741273
O -2.349008 0.586636 1.538266
N -4.102437 0.679125 -0.024382
N 4.912815 0.673950 1.677444
C -1.109800 -2.094776 -0.158498
C -0.149016 -0.947578 -0.392494
C -0.606521 0.366150 -0.607442
C -1.174136 -2.409538 1.339904
C -0.721769 -3.331038 -0.977976
C 1.238430 -1.130403 -0.382199
C 1.629046 1.251294 -0.822970
C 2.103930 -0.054389 -0.609117
C 0.239947 1.456348 -0.815086
C 2.551812 2.400157 -1.031116
C -2.784405 0.650208 0.414870
C 4.432474 0.236890 0.722973
C -5.150720 1.104569 0.929345
H -2.131387 -1.773044 -0.496492
H -0.208221 -2.743616 1.732329
H -1.907282 -3.193595 1.552580
H -1.465770 -1.516829 1.916664
H 0.213895 -3.781948 -0.630223
H -0.598278 -3.084567 -2.038505
H -1.495491 -4.104104 -0.906099
H 1.642042 -2.130237 -0.194569
H -0.184381 2.447403 -0.966411
H 3.088055 2.655090 -0.101280
H 3.318525 2.187302 -1.793272
H 2.030849 3.312709 -1.352724
H -4.288214 0.848215 -1.013045
H -4.859329 0.851716 1.968314
H -6.083444 0.559171 0.700491
H -5.347417 2.188737 0.885239


%chk=000200811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200811

0 1
S 3.936538 -0.492172 -0.512272
O -2.016259 0.633593 -0.808502
O -2.419185 0.508139 1.535673
N -4.110963 1.005606 -0.026866
N 4.919611 1.045389 1.804357
C -1.126686 -2.139495 -0.095004
C -0.179024 -0.964612 -0.341718
C -0.625881 0.343973 -0.648225
C -1.049073 -2.613597 1.381090
C -0.850398 -3.307161 -1.079170
C 1.226061 -1.142289 -0.272316
C 1.663819 1.230918 -0.844224
C 2.112150 -0.077422 -0.519569
C 0.261839 1.410963 -0.893070
C 2.607615 2.385329 -1.108460
C -2.834278 0.699801 0.371008
C 4.485089 0.427658 0.872894
C -5.209164 1.164369 0.930873
H -2.158310 -1.788282 -0.282310
H -0.036152 -2.983444 1.627446
H -1.762318 -3.440276 1.555868
H -1.294699 -1.784426 2.065697
H 0.157462 -3.735937 -0.926090
H -0.922922 -2.975088 -2.130578
H -1.584174 -4.118688 -0.920591
H 1.631141 -2.127364 -0.019661
H -0.155731 2.394971 -1.128940
H 3.133125 2.693419 -0.184806
H 3.386954 2.108317 -1.841379
H 2.060768 3.261461 -1.493923
H -4.271130 1.137712 -1.025888
H -4.811074 0.978551 1.940827
H -6.020922 0.441120 0.731394
H -5.624031 2.188465 0.898036


