%chk=000226062.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226062

0 1
S -1.991136 -0.229716 0.698541
S 4.217111 -0.345479 -0.271873
O -2.564869 -1.385148 0.037492
O -2.251282 -0.005811 2.105905
O 4.876790 0.038059 0.961009
O 4.549464 -1.603485 -0.912326
N -2.424751 1.220350 -0.125624
C -0.261605 -0.265576 0.433737
C -3.445241 2.068674 0.550752
C -2.516941 1.158005 -1.609356
C 2.487335 -0.315667 0.002448
C 0.268010 -1.099168 -0.553010
C 0.575406 0.521265 1.225008
C 1.651499 -1.125580 -0.768017
C 1.960139 0.493660 1.008556
C -4.823379 1.427893 0.702333
C -3.633167 0.277456 -2.164693
C 4.461877 0.940242 -1.441508
H -3.039896 2.326801 1.560621
H -3.529629 3.025796 -0.011694
H -2.638381 2.200294 -1.987606
H -1.529929 0.807180 -1.991128
H -0.391143 -1.745858 -1.144297
H 0.160861 1.147377 2.022153
H 2.073882 -1.796773 -1.524665
H 2.622599 1.091937 1.644307
H -5.212017 1.052512 -0.255961
H -4.807250 0.581848 1.404731
H -5.550475 2.147591 1.095245
H -3.517926 -0.777399 -1.857444
H -4.621905 0.596634 -1.802376
H -3.654460 0.299969 -3.258268
H 3.558316 1.497240 -1.710142
H 5.182217 1.693991 -1.085995
H 4.879276 0.567487 -2.389951


%chk=000226062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226062

0 1
S -2.058920 -0.262206 0.749550
S 4.394816 -0.323322 -0.226644
O -2.616036 -1.622471 0.027693
O -2.308941 0.017700 2.334358
O 5.075188 0.282010 1.131719
O 4.753632 -1.804521 -0.820025
N -2.560742 1.317037 -0.111340
C -0.188344 -0.236947 0.429887
C -3.689809 2.005151 0.584809
C -2.545376 1.202563 -1.596943
C 2.505745 -0.265460 0.020254
C 0.325286 -1.164439 -0.490903
C 0.598753 0.649847 1.184182
C 1.724347 -1.180031 -0.703441
C 1.996611 0.633740 0.973079
C -5.020470 1.238504 0.769950
C -3.725348 0.503106 -2.311525
C 4.729992 0.938175 -1.630722
H -3.313477 2.309399 1.577046
H -3.848164 2.929646 -0.005504
H -2.447069 2.246487 -1.956849
H -1.598589 0.696399 -1.869197
H -0.348209 -1.865536 -0.995195
H 0.139539 1.312120 1.924181
H 2.197761 -1.900837 -1.378612
H 2.674288 1.270406 1.551807
H -5.467260 0.919030 -0.184516
H -4.867403 0.348549 1.404604
H -5.743941 1.895399 1.287848
H -3.873655 -0.516069 -1.917115
H -4.665395 1.071122 -2.208128
H -3.498520 0.428405 -3.391650
H 4.383780 1.917768 -1.274076
H 5.819252 0.910591 -1.774237
H 4.186079 0.585286 -2.517441


