%chk=000189799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189799

0 1
S 1.521429 -1.558877 -0.048814
S -1.475668 -2.079690 -0.081375
N -0.434764 0.327414 -0.006107
N -6.047266 0.532934 -0.110390
C 4.971840 0.646992 0.006054
C 4.001122 -0.544516 -0.023339
C 6.432900 0.176408 -0.003933
C 2.558990 -0.058304 -0.012915
C 7.403107 1.354964 0.024771
C -2.589009 -0.727390 -0.047273
C -1.846909 0.485621 -0.009603
C -0.093078 -0.928168 -0.040122
C -3.972864 -0.749551 -0.048922
C -2.524286 1.716426 0.021170
C -4.640739 0.494793 -0.019723
C -3.911933 1.716092 0.019965
H 4.783535 1.267145 0.903887
H 4.785110 1.309310 -0.861523
H 4.199358 -1.204066 0.847232
H 4.200732 -1.161417 -0.924383
H 6.622542 -0.484710 0.864570
H 6.623922 -0.442714 -0.902591
H 2.326085 0.583334 -0.885072
H 2.324747 0.541948 0.887771
H 7.270049 2.009904 -0.843993
H 7.266794 1.969705 0.921916
H 8.443659 1.010958 0.018839
H -4.524664 -1.683913 -0.086316
H -1.956359 2.647112 0.046702
H -4.450344 2.661222 0.034633
H -6.506639 1.374096 0.204030
H -6.548102 -0.305464 0.142555


%chk=000189799-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189799

0 1
S 1.516804 -1.870269 -0.057422
S -1.598266 -2.275615 -0.083704
N -0.400781 0.149006 0.008567
N -6.023820 0.716894 0.007889
C 4.940930 0.623423 0.002891
C 4.050384 -0.643573 -0.023268
C 6.451867 0.294329 -0.010394
C 2.560179 -0.274461 -0.007105
C 7.336880 1.559291 0.012144
C -2.623076 -0.774201 -0.032930
C -1.790569 0.391759 0.012186
C -0.120839 -1.131083 -0.035387
C -4.024218 -0.697096 -0.035411
C -2.407139 1.663506 0.055788
C -4.632432 0.591295 0.008684
C -3.807895 1.761019 0.054220
H 4.705442 1.222913 0.906416
H 4.698689 1.263476 -0.870476
H 4.292562 -1.280303 0.850627
H 4.283730 -1.236561 -0.929821
H 6.693955 -0.344579 0.863023
H 6.686231 -0.307349 -0.911922
H 2.262917 0.325019 -0.882405
H 2.267166 0.266377 0.906906
H 7.134534 2.200091 -0.866644
H 7.142980 2.162613 0.918955
H 8.411575 1.300836 0.001693
H -4.646482 -1.597565 -0.070211
H -1.779563 2.559175 0.090461
H -4.283251 2.748488 0.088429
H -6.461525 1.632451 0.040264
H -6.623672 -0.101705 -0.024341


