%chk=000211225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211225

0 1
S -7.312096 0.742556 0.257059
O 4.971612 -0.731746 0.409866
O 3.944596 1.964285 0.771085
O 3.010604 -2.717784 -0.526261
O -0.766874 1.289522 -1.690668
N -1.380416 0.079662 0.183157
C 0.970913 0.242219 -0.397219
C 3.646612 -0.401461 0.144879
C 3.156217 0.905315 0.369060
C 2.750544 -1.394438 -0.309571
C 1.822359 1.236886 0.088733
C 1.403043 -1.068321 -0.579267
C -0.450713 0.610742 -0.738387
C -2.798952 0.253522 0.146233
C -3.438736 1.020050 -0.844707
C -3.553285 -0.381488 1.158322
C -5.569838 0.517401 0.179868
C -4.827564 1.150598 -0.819927
C -4.941241 -0.246129 1.166932
C 5.898567 -0.157736 -0.560611
C 4.743555 1.746089 1.967594
C 4.343167 -3.225033 -0.249066
C -7.918673 -0.436033 -0.976535
H 1.481605 2.261678 0.237667
H 0.738639 -1.848362 -0.950752
H -1.019986 -0.484100 0.959233
H -2.854297 1.514045 -1.628817
H -3.065970 -0.973030 1.928861
H -5.325057 1.752280 -1.583761
H -5.528333 -0.735715 1.946666
H 5.811614 0.934635 -0.564936
H 5.698946 -0.570015 -1.552777
H 6.868767 -0.484052 -0.173544
H 5.396949 2.625850 1.967293
H 4.076264 1.745475 2.834253
H 5.316511 0.813977 1.905971
H 4.192257 -4.306190 -0.352710
H 5.043330 -2.838822 -0.994275
H 4.657937 -2.950683 0.764165
H -7.538678 -0.207629 -1.977461
H -9.013458 -0.362127 -0.995327
H -7.644446 -1.465092 -0.723219


%chk=000211225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211225

0 1
S -7.511269 0.065113 0.306438
O 5.101454 -0.690930 -0.002835
O 4.283158 2.078451 0.117929
O 3.032247 -2.713742 -0.122869
O -0.759119 2.017358 -0.427375
N -1.408536 -0.134480 0.250150
C 0.978236 0.372917 -0.025027
C 3.736645 -0.329408 0.033124
C 3.329910 1.036679 0.093573
C 2.738974 -1.345690 0.000144
C 1.968314 1.382315 0.043238
C 1.372119 -0.988762 -0.033517
C -0.457374 0.829582 -0.094169
C -2.825962 -0.028405 0.232584
C -3.516736 1.152797 -0.155988
C -3.569324 -1.173216 0.631416
C -5.667128 0.024934 0.244417
C -4.926661 1.167791 -0.138123
C -4.977688 -1.148257 0.632446
C 5.803806 -0.273557 -1.245612
C 5.158995 2.101736 1.313779
C 3.986309 -3.299084 0.846830
C -7.895919 0.068064 -1.548133
H 1.670413 2.434242 0.051097
H 0.660426 -1.816036 -0.132295
H -1.046007 -1.028680 0.586831
H -2.945197 2.035450 -0.446838
H -3.045448 -2.089270 0.934522
H -5.455716 2.087227 -0.411880
H -5.544389 -2.035673 0.931370
H 5.740729 0.821098 -1.374646
H 5.359898 -0.789204 -2.116313
H 6.849241 -0.588907 -1.109431
H 5.847178 2.944902 1.152057
H 4.552769 2.279971 2.221740
H 5.720218 1.155426 1.412665
H 4.063552 -4.359009 0.561405
H 4.967628 -2.802358 0.783103
H 3.582053 -3.214538 1.873972
H -7.421555 0.936756 -2.029329
H -8.991417 0.144344 -1.635176
H -7.542832 -0.867145 -2.008175


