%chk=000186333.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186333

0 1
S -0.940344 0.710014 1.081804
O -1.263560 -0.912992 -1.028997
N -3.102645 0.316064 -0.365250
C -5.084956 -1.208326 -0.517072
C -6.148303 -0.376207 0.211163
C -4.071423 -0.344542 -1.279438
C 2.771505 -0.438447 -0.151161
C 3.542417 0.678553 0.265548
C -7.171360 -1.265384 0.913616
C 0.775172 0.638618 0.685441
C 1.357881 -0.441658 0.078531
C 2.887448 1.785521 0.897242
C 1.530774 1.773121 1.100191
C 3.424441 -1.540250 -0.789660
C 4.955337 0.672908 0.040580
C -1.796773 -0.114615 -0.297343
C 4.781560 -1.518618 -0.993491
C 5.556405 -0.398413 -0.572257
H -4.558365 -1.865991 0.203821
H -5.576289 -1.897989 -1.233115
H -6.664875 0.290078 -0.507903
H -5.667533 0.290853 0.952899
H -4.584750 0.448770 -1.868374
H -3.508770 -0.974284 -2.011463
H -6.698834 -1.916108 1.658951
H -7.925635 -0.665427 1.435882
H -7.701917 -1.912134 0.205226
H -3.494788 0.958012 0.320459
H 0.768551 -1.303734 -0.255044
H 3.488698 2.638984 1.208278
H 1.027864 2.619181 1.570150
H 2.821247 -2.389720 -1.109872
H 5.539858 1.532697 0.363963
H 5.287132 -2.352044 -1.478786
H 6.631231 -0.410890 -0.747421


%chk=000186333-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186333

0 1
S -1.034401 1.031559 1.181419
O -1.338534 -0.456872 -1.186543
N -3.226277 0.651850 -0.356516
C -5.052581 -1.045646 -0.783662
C -5.973074 -0.637920 0.388773
C -4.189707 0.110714 -1.340149
C 2.671394 -0.493109 0.039538
C 3.523019 0.672897 0.166388
C -6.858290 -1.804364 0.878969
C 0.739233 0.845829 0.734374
C 1.275028 -0.382738 0.345639
C 2.935497 1.914487 0.579608
C 1.569615 2.007884 0.849108
C 3.253051 -1.736290 -0.378853
C 4.921125 0.549515 -0.126855
C -1.902633 0.282996 -0.349181
C 4.618606 -1.826435 -0.657807
C 5.460163 -0.674503 -0.530338
H -4.385718 -1.871787 -0.468476
H -5.672875 -1.436928 -1.615940
H -6.618162 0.208025 0.071834
H -5.357038 -0.270340 1.234281
H -4.837495 0.942056 -1.679371
H -3.600825 -0.237108 -2.205834
H -6.238565 -2.650022 1.231162
H -7.511095 -1.492819 1.714606
H -7.506358 -2.179345 0.064615
H -3.556656 1.305873 0.355292
H 0.634197 -1.264025 0.255909
H 3.572801 2.801817 0.672357
H 1.120955 2.961756 1.144088
H 2.606171 -2.615616 -0.479832
H 5.563285 1.433395 -0.030783
H 5.052998 -2.779937 -0.977737
H 6.529549 -0.759249 -0.752983


