%chk=000220686.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220686

0 1
S 4.926388 0.309809 0.063945
O -5.021145 -2.021819 -0.788868
O -5.185381 2.275716 0.691719
O 5.270049 1.595418 0.639429
O 5.583868 -0.905190 0.504231
N -3.066834 0.139377 0.072283
N -1.772969 0.282503 -0.211967
N -0.947721 -0.553314 0.292080
N 5.292082 0.446821 -1.613789
C -3.640022 -1.010881 0.829484
C -3.984983 0.836797 -0.881338
C -3.816101 -2.266153 -0.032339
C -4.259888 2.269503 -0.398749
C 3.220727 0.093547 0.107335
C 0.451204 -0.261661 0.174748
C 2.375355 1.205929 0.181501
C 2.679671 -1.199004 0.076276
C 0.991632 1.038729 0.213368
C 1.301018 -1.386905 0.107848
H -2.980344 -1.238292 1.700830
H -4.632477 -0.695217 1.232299
H -3.559131 0.856197 -1.909743
H -4.942000 0.256549 -0.948309
H -3.957991 -3.165816 0.593167
H -2.974991 -2.425425 -0.731379
H -4.792762 2.852133 -1.176574
H -3.334285 2.797246 -0.105322
H 2.799529 2.216206 0.224273
H 3.344971 -2.069907 0.037336
H 0.333754 1.904768 0.269645
H 0.873623 -2.389092 0.090370
H 5.629795 1.342800 -1.957478
H 5.831343 -0.298687 -2.047713
H -5.244692 -2.801040 -1.333094
H -4.771893 1.884153 1.488893


%chk=000220686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220686

0 1
S 4.933811 0.513092 -0.035618
O -4.774101 -1.977985 -1.439463
O -4.988014 1.879272 1.522376
O 5.178035 2.116981 -0.193979
O 5.627197 -0.390751 1.130498
N -3.172696 0.097692 -0.091690
N -1.853810 0.382734 -0.218854
N -1.049367 -0.541990 0.281671
N 5.450712 -0.241221 -1.643352
C -3.675911 -1.146268 0.533926
C -4.097344 1.089559 -0.679763
C -3.740551 -2.323262 -0.448603
C -4.352779 2.285450 0.260637
C 3.086106 0.213477 0.026585
C 0.333234 -0.210062 0.156510
C 2.234040 1.186866 -0.526311
C 2.625247 -0.957640 0.649682
C 0.846345 0.971224 -0.459306
C 1.233440 -1.162283 0.710675
H -2.997032 -1.410611 1.363700
H -4.688052 -0.940880 0.921907
H -3.670087 1.452291 -1.631731
H -5.038946 0.562769 -0.900301
H -4.020243 -3.238961 0.114208
H -2.751774 -2.475221 -0.923191
H -5.072976 2.972399 -0.214942
H -3.403393 2.829238 0.443650
H 2.652093 2.095331 -0.971894
H 3.331861 -1.667021 1.091322
H 0.148350 1.703334 -0.874115
H 0.817109 -2.054407 1.188403
H 5.863677 0.511239 -2.220183
H 6.121310 -0.998827 -1.429366
H -4.808885 -2.669733 -2.145389
H -4.307208 1.459974 2.106699


