%chk=000293300.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000293300

0 1
S 6.684553 0.073689 -0.301691
O -4.541133 1.704637 -0.178566
O -9.183049 -2.874592 -0.065046
O -11.333272 0.759987 0.137706
O -11.450345 -1.474887 0.084055
N 2.008187 1.819817 -0.347149
N 3.988191 1.531284 -1.486174
N 2.657577 0.695855 1.803787
N -5.062132 -0.544766 -0.207292
N 4.963209 -0.121861 1.747101
C -0.316612 0.961100 -0.346197
C 0.600107 2.167430 -0.083518
C -1.783014 1.344476 -0.133329
C -2.705526 0.132409 -0.319715
C 2.865393 1.138779 0.519634
C 4.109911 0.973227 -0.206836
C 2.741683 2.018195 -1.558545
C -4.157384 0.558143 -0.224845
C 5.153246 0.315745 0.485066
C -6.479292 -0.475584 -0.134730
C 3.733701 0.084919 2.350141
C 7.691190 -0.786149 0.951921
C -7.176192 -1.693840 -0.132649
C -7.177159 0.757265 -0.067430
C 9.007340 -0.991861 0.280723
C -8.578832 -1.669567 -0.062690
C -9.295080 -0.444245 0.005155
C -8.556726 0.761815 0.001002
C 10.012371 -0.016148 0.383243
C 9.248890 -2.162737 -0.456337
C 11.245569 -0.214108 -0.242754
C 10.484467 -2.354182 -1.079716
C 11.484480 -1.382172 -0.973931
C -10.740563 -0.473390 0.075740
H -0.161112 0.577440 -1.373742
H -0.031019 0.128568 0.332143
H 0.315172 3.035013 -0.720280
H 0.508862 2.495589 0.982258
H -2.084028 2.151636 -0.834859
H -1.931518 1.769544 0.881615
H -2.518966 -0.340841 -1.307895
H -2.465079 -0.641617 0.439180
H 2.307417 2.522861 -2.411661
H -4.669890 -1.491485 -0.248116
H 3.634950 -0.292963 3.381223
H 7.204594 -1.734062 1.259362
H 7.763271 -0.178630 1.877083
H -6.677890 -2.658716 -0.182526
H -6.621340 1.701555 -0.069288
H -9.107193 1.708086 0.053690
H 9.830876 0.897792 0.947118
H 8.472682 -2.921227 -0.546514
H 12.021969 0.545216 -0.161562
H 10.667636 -3.263086 -1.650869
H 12.445885 -1.533689 -1.460708
H -10.214328 -2.812119 -0.012085
H -12.329007 0.690256 0.185298


%chk=000293300-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000293300

0 1
S 6.755052 0.360400 -0.448165
O -4.654451 1.898096 -0.797558
O -8.938057 -3.014115 0.697050
O -11.474653 0.364500 0.192618
O -11.280084 -1.893454 0.670739
N 2.005807 2.094104 -0.356849
N 4.056690 2.103579 -1.405326
N 2.501809 0.514636 1.487248
N -5.052562 -0.355467 -0.256206
N 4.817923 -0.290548 1.408841
C -0.336548 1.220581 -0.573408
C 0.581833 2.362974 -0.083543
C -1.819244 1.510297 -0.259782
C -2.741452 0.360335 -0.721006
C 2.823266 1.229086 0.372766
C 4.093814 1.249380 -0.288824
C 2.798284 2.581620 -1.408045
C -4.226758 0.726343 -0.591972
C 5.106222 0.436377 0.288476
C -6.463621 -0.396398 -0.113142
C 3.557216 -0.218612 1.944833
C 7.603518 -0.852656 0.781143
C -7.036878 -1.647417 0.216715
C -7.290409 0.757732 -0.288590
C 9.006273 -1.133651 0.303075
C -8.432042 -1.773144 0.376063
C -9.275937 -0.619384 0.201037
C -8.674093 0.626513 -0.129702
C 10.089641 -0.317937 0.721719
C 9.267332 -2.221886 -0.569926
C 11.405012 -0.586303 0.282605
C 10.581769 -2.492902 -1.009917
C 11.655016 -1.675431 -0.584620
C -10.714475 -0.783680 0.373377
H -0.200032 1.084582 -1.664781
H -0.017902 0.280917 -0.083061
H 0.314353 3.316946 -0.573371
H 0.467055 2.493646 1.007678
H -2.152156 2.440496 -0.757044
H -1.949639 1.669779 0.828884
H -2.545406 0.146980 -1.792293
H -2.506907 -0.568296 -0.163898
H 2.407229 3.286318 -2.139887
H -4.573219 -1.246173 -0.101550
H 3.383472 -0.820007 2.841599
H 6.966121 -1.748526 0.813215
H 7.571047 -0.362265 1.765490
H -6.422534 -2.543697 0.355497
H -6.831224 1.713705 -0.539751
H -9.323943 1.496818 -0.259291
H 9.898558 0.528224 1.392723
H 8.436799 -2.855632 -0.903612
H 12.232092 0.050356 0.616086
H 10.769042 -3.338543 -1.681071
H 12.675250 -1.885247 -0.924877
H -9.953466 -2.932648 0.774516
H -12.434105 0.142504 0.332074


