%chk=000198492.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198492

0 1
S 4.153223 0.007109 1.507874
S -4.153918 0.006747 -1.506520
O 2.122813 -0.137457 1.221594
O -2.123246 -0.136133 -1.220767
N 5.418404 -0.587004 -0.728188
N -5.418218 -0.596234 0.727659
N 2.993836 -0.692737 -0.827210
N -2.993516 -0.699203 0.826231
C 6.550878 -0.284972 0.202891
C -6.551121 -0.292674 -0.202393
C 5.998268 0.085154 1.571637
C -5.999055 0.082641 -1.569948
C 4.174259 -0.481266 -0.217204
C -4.174225 -0.487265 0.216973
C 5.710337 -0.967709 -2.122430
C -5.709601 -0.981895 2.120653
C 0.537095 -0.668951 -0.543253
C -0.536833 -0.671397 0.542318
C 1.908059 -0.480938 0.029583
C -1.908024 -0.483211 -0.029903
H 7.153311 0.545099 -0.231195
H 7.210329 -1.180730 0.258359
H -7.154634 0.535183 0.234413
H -7.209394 -1.189115 -0.260762
H 6.341087 -0.602434 2.360265
H 6.285491 1.103448 1.876479
H -6.341039 -0.602799 -2.360807
H -6.287601 1.101561 -1.871437
H 6.254466 -0.161149 -2.642479
H 4.768003 -1.154232 -2.678869
H 6.311326 -1.892119 -2.157392
H -6.309461 -1.907145 2.152604
H -6.254678 -0.177714 2.643388
H -4.767005 -1.169100 2.676418
H 0.496470 -1.604172 -1.147081
H 0.335564 0.138253 -1.292162
H -0.495048 -1.608537 1.143085
H -0.336305 0.133595 1.293875


%chk=000198492-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198492

0 1
S 4.637775 -0.002496 1.936322
S -4.637742 -0.004550 -1.935681
O 1.920630 0.264743 1.523959
O -1.921050 0.265978 -1.521838
N 5.424307 -0.614298 -0.558093
N -5.424230 -0.621915 0.557368
N 3.073954 -0.468420 -0.407118
N -3.074045 -0.472342 0.407479
C 6.701293 -0.324384 0.128446
C -6.701467 -0.332898 -0.129070
C 6.460836 -0.511364 1.635144
C -6.460175 -0.516548 -1.636058
C 4.267139 -0.390600 0.152932
C -4.267174 -0.395034 -0.152808
C 5.411534 -0.843870 -2.009144
C -5.411610 -0.854170 2.007995
C 0.626651 -0.452424 -0.441896
C -0.626713 -0.453489 0.442901
C 1.908717 -0.194028 0.333769
C -1.908927 -0.195127 -0.332545
H 7.022099 0.714631 -0.098284
H 7.480470 -1.014728 -0.243021
H -7.024153 0.705105 0.099599
H -7.479581 -1.025321 0.240770
H 6.573841 -1.561243 1.946411
H 7.103681 0.140370 2.243861
H -6.571624 -1.565966 -1.949421
H -7.103739 0.135474 -2.243707
H 5.822645 0.030867 -2.550978
H 4.366680 -0.998191 -2.317412
H 6.014076 -1.735738 -2.261174
H -6.012858 -1.747437 2.258160
H -5.824279 0.018926 2.551288
H -4.366630 -1.007439 2.316359
H 0.738343 -1.396424 -1.005494
H 0.527218 0.332517 -1.218767
H -0.737671 -1.398265 1.005325
H -0.527923 0.330595 1.220720


