%chk=000291933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291933

0 1
S 5.771717 -0.761965 0.054973
O -4.519767 -0.725156 0.141129
O -3.273776 2.450862 0.390830
O 6.038261 -2.041736 -0.570608
O 6.410725 0.450673 -0.416731
O -2.891251 -1.883669 -0.937449
O -3.033014 1.817768 -1.778143
N -0.073375 0.109002 0.534074
N 6.266011 -0.937368 1.693863
C -2.414839 0.305188 0.054004
C 4.070831 -0.512229 0.151552
C 1.316953 -0.104633 0.312724
C -0.976724 0.078282 -0.378778
C 3.200234 -1.608093 0.127736
C 3.561257 0.788528 0.248299
C 1.821809 -1.415292 0.204315
C 2.186919 1.003728 0.328150
C -3.252163 -0.905303 -0.333763
C -2.935470 1.578107 -0.600954
C -5.505396 -1.788153 -0.102968
C -3.791434 3.770639 0.004027
C -5.252911 -2.948618 0.832507
C -2.657022 4.650289 -0.471079
H -2.476568 0.427663 1.181952
H -0.853817 -0.102703 -1.460887
H 3.599759 -2.625508 0.033987
H 4.244736 1.646713 0.250210
H 1.143022 -2.267204 0.190843
H 1.787694 2.013122 0.414217
H -6.441536 -1.240636 0.115008
H -5.451348 -2.073145 -1.168642
H -4.574369 3.626116 -0.761110
H -4.231212 4.098576 0.964652
H 6.849790 -0.209830 2.099838
H 6.608253 -1.846070 1.997432
H -6.063600 -3.686567 0.782870
H -4.318343 -3.473029 0.579950
H -5.168171 -2.619024 1.876559
H -1.824206 4.661022 0.244622
H -2.254789 4.302677 -1.435007
H -2.986367 5.687674 -0.611103


%chk=000291933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291933

0 1
S 5.919641 -0.740899 -0.037968
O -4.449067 -0.755709 0.079837
O -3.490093 2.536391 0.218166
O 6.070340 -1.680527 -1.360257
O 6.709437 0.670562 0.158190
O -2.511224 -1.981000 -0.366673
O -2.963358 1.591308 -1.855212
N 0.006569 0.364823 0.842446
N 6.388124 -1.796860 1.399390
C -2.359450 0.417741 0.233287
C 4.090411 -0.414369 0.228111
C 1.379868 0.093919 0.589674
C -0.885719 0.253011 -0.093732
C 3.168634 -1.308151 -0.339480
C 3.721195 0.718790 0.973584
C 1.796137 -1.045712 -0.157292
C 2.347953 0.961349 1.165193
C -3.081483 -0.910764 -0.060441
C -2.966336 1.553212 -0.604130
C -5.295509 -1.976432 -0.145466
C -4.101531 3.726231 -0.465501
C -5.395594 -2.806476 1.135763
C -3.032505 4.776804 -0.773604
H -2.475261 0.657370 1.303473
H -0.649079 0.040391 -1.153949
H 3.515518 -2.166936 -0.922875
H 4.484798 1.392210 1.374855
H 1.045168 -1.732188 -0.563024
H 2.005096 1.819173 1.750854
H -6.266832 -1.556048 -0.449072
H -4.852513 -2.556158 -0.973739
H -4.605606 3.376951 -1.383380
H -4.841955 4.084390 0.266639
H 7.105406 -1.289505 1.944088
H 6.722447 -2.702753 1.030333
H -6.090338 -3.651230 0.973539
H -4.412769 -3.220531 1.416092
H -5.782399 -2.198569 1.971429
H -2.491660 5.070343 0.142286
H -2.307925 4.397045 -1.513113
H -3.512034 5.679502 -1.195219


