%chk=000245745.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245745

0 1
S -0.811218 -0.154949 -0.777508
O -0.375814 -0.281501 1.842845
O 6.355065 1.016209 0.048502
O 6.185603 -0.721160 -1.229862
N 5.721261 0.112859 -0.470710
C -2.499582 -0.054026 -0.353572
C -3.185354 1.136816 -0.661425
C -3.167371 -1.152857 0.216258
C -5.243349 0.117607 0.146233
C -4.561864 1.209035 -0.414977
C -4.544971 -1.056966 0.459232
C -2.476596 2.311002 -1.248361
C -2.438932 -2.400846 0.582150
C -6.713229 0.203091 0.395510
C 1.568034 -0.145276 0.428140
C 0.112042 -0.208924 0.752675
C 2.344102 0.863607 1.019473
C 2.144243 -1.074790 -0.447971
C 4.273657 0.021709 -0.155104
C 3.705027 0.953056 0.726578
C 3.507078 -0.993785 -0.743280
H -5.106804 2.118542 -0.655259
H -5.074073 -1.898833 0.899136
H -1.651466 2.650602 -0.603210
H -2.037163 2.072405 -2.229491
H -3.138396 3.174731 -1.398314
H -3.113378 -3.217310 0.873202
H -1.772042 -2.219289 1.444438
H -1.818100 -2.779871 -0.242476
H -7.030761 -0.414388 1.247103
H -7.045110 1.229583 0.603258
H -7.275658 -0.146488 -0.484119
H 1.884783 1.573212 1.712264
H 1.538728 -1.863651 -0.901896
H 4.329425 1.733944 1.175653
H 3.978681 -1.709701 -1.426315


%chk=000245745-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245745

0 1
S -0.870384 -0.348189 -1.135032
O -0.420437 0.330123 1.497262
O 6.576417 0.249479 0.940342
O 6.400929 -0.391912 -1.242228
N 5.887236 -0.061147 -0.105454
C -2.602290 -0.143349 -0.519422
C -3.336523 0.997631 -0.945852
C -3.176632 -1.141646 0.313773
C -5.294958 0.142471 0.306490
C -4.681520 1.115298 -0.518928
C -4.524964 -0.972623 0.713494
C -2.725485 2.078952 -1.819173
C -2.393249 -2.347673 0.793455
C -6.747987 0.281126 0.724207
C 1.609951 0.007407 0.214833
C 0.120292 0.053208 0.403511
C 2.416769 0.339328 1.338378
C 2.227556 -0.347199 -1.014169
C 4.403892 -0.036511 0.006958
C 3.819076 0.320634 1.241654
C 3.629746 -0.371752 -1.125075
H -5.258561 1.992015 -0.838034
H -4.978960 -1.733582 1.360241
H -1.845097 2.538301 -1.333450
H -2.379775 1.675972 -2.788664
H -3.460168 2.876256 -2.022230
H -3.058729 -3.082572 1.276772
H -1.629516 -2.044815 1.534060
H -1.864640 -2.848409 -0.037337
H -6.934356 -0.187957 1.706099
H -7.051822 1.340654 0.787421
H -7.418942 -0.210093 -0.007287
H 1.921068 0.609004 2.275815
H 1.617189 -0.605114 -1.885006
H 4.461199 0.572279 2.089479
H 4.130171 -0.642194 -2.058104


