%chk=000219182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219182

0 1
S 1.788464 0.967803 -1.651921
O -3.430859 0.239511 -0.793689
O 3.067680 1.252421 -2.356668
N -3.337330 -0.978069 -0.352011
N 0.669942 0.312701 1.153086
C -2.035756 -1.165981 0.465173
C -1.812709 0.037639 1.382179
C -0.450462 0.000464 2.085087
C -4.531340 -1.314706 0.579202
C -3.331658 -1.992159 -1.521563
C 1.004721 1.677036 0.910062
C 1.327865 -0.751133 0.478185
C -5.852783 -0.963384 -0.085663
C -2.279869 -1.623458 -2.555845
C 1.643379 2.070293 -0.275341
C 1.980674 -0.544415 -0.746881
C 0.732696 2.655247 1.897003
C 1.359988 -2.044300 1.057447
C 2.074849 3.386780 -0.450061
C 2.719485 -1.566901 -1.343546
C 1.138222 3.971636 1.697433
C 2.072771 -3.065163 0.435984
C 1.822688 4.344427 0.532466
C 2.764301 -2.834152 -0.760720
H -1.187414 -1.238277 -0.253653
H -2.070970 -2.116050 1.026481
H -1.920346 0.967783 0.764436
H -2.617775 0.109387 2.139139
H -0.443816 0.739723 2.923351
H -0.274482 -0.994357 2.558009
H -4.491642 -2.379903 0.871314
H -4.413444 -0.703307 1.501154
H -3.180586 -3.014794 -1.130135
H -4.337672 -1.952532 -1.996322
H -6.655484 -0.860002 0.652067
H -5.760159 0.009095 -0.611024
H -6.168412 -1.704427 -0.826286
H -2.468123 -2.124323 -3.511455
H -2.305506 -0.531511 -2.744475
H -1.261929 -1.873773 -2.238590
H 0.221073 2.379739 2.817794
H 0.854793 -2.232793 2.003140
H 2.616460 3.663038 -1.361769
H 3.269208 -1.367805 -2.270812
H 0.927223 4.720441 2.462062
H 2.101914 -4.055157 0.892852
H 2.152247 5.371186 0.396011
H 3.335884 -3.632616 -1.226288


%chk=000219182-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219182

0 1
S 1.646851 0.167394 -1.887499
O -3.388460 0.799194 -0.362527
O 2.897996 0.727441 -2.844592
N -3.503704 -0.613620 -0.306297
N 0.599528 -0.292480 0.971424
C -2.251624 -1.239716 0.373161
C -1.836143 -0.447723 1.617459
C -0.365172 -0.726127 2.009088
C -4.758925 -1.020301 0.522140
C -3.636372 -1.206693 -1.739330
C 0.676606 1.096939 0.624113
C 1.720689 -1.124786 0.656253
C -6.007168 -0.253552 0.081130
C -2.575363 -0.646367 -2.689283
C 1.261719 1.499105 -0.601506
C 2.403957 -0.968353 -0.576593
C 0.257534 2.130257 1.505502
C 2.253190 -2.081002 1.566608
C 1.501463 2.835826 -0.942705
C 3.577479 -1.659168 -0.903833
C 0.451353 3.484450 1.160531
C 3.406946 -2.823029 1.232066
C 1.090309 3.849109 -0.047486
C 4.087539 -2.608875 0.010750
H -1.446752 -1.177715 -0.375819
H -2.473923 -2.303176 0.587437
H -2.011735 0.615773 1.365890
H -2.465860 -0.699224 2.492700
H -0.146821 -0.252067 2.989689
H -0.229571 -1.813064 2.143886
H -4.878093 -2.119036 0.448942
H -4.505762 -0.752227 1.560813
H -3.602242 -2.310791 -1.655389
H -4.638333 -0.899893 -2.078173
H -6.783648 -0.323070 0.863572
H -5.718265 0.803744 -0.053316
H -6.440943 -0.635480 -0.859382
H -2.871263 -0.845350 -3.734624
H -2.521965 0.444286 -2.527777
H -1.573937 -1.084826 -2.534864
H -0.200234 1.883024 2.467692
H 1.799634 -2.216656 2.553277
H 2.000327 3.060083 -1.892745
H 4.070045 -1.441882 -1.859073
H 0.113014 4.262099 1.854060
H 3.795133 -3.552948 1.951228
H 1.251025 4.903024 -0.294726
H 4.995940 -3.171647 -0.225472


