%chk=000116406.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000116406

0 1
S -4.320167 -0.883259 -1.172821
O 0.563730 1.733198 0.767701
N 1.861810 -0.571751 0.405809
N 4.608442 -0.471583 -0.513906
N -5.848630 -1.596348 1.126358
C 2.195056 -0.631877 -1.057616
C 2.972106 -1.182639 1.210340
C 3.499872 0.145322 -1.315014
C 4.276063 -0.403118 0.947390
C 0.543877 -1.233343 0.694860
C -0.598976 -0.346963 0.266964
C 5.900910 0.222987 -0.788323
C -0.543442 1.063475 0.373594
C -1.784586 -0.937250 -0.187924
C -1.672547 1.877107 0.064271
C -2.880937 -0.138702 -0.507108
C -2.839249 1.256581 -0.372067
C -1.595017 3.357890 0.220345
C -5.204306 -1.292345 0.217890
H 1.360870 -0.166258 -1.626905
H 2.302155 -1.677016 -1.422838
H 3.125674 -2.258177 0.970182
H 2.711099 -1.115410 2.287900
H 3.764879 0.065388 -2.391708
H 3.349256 1.224734 -1.095150
H 4.178488 0.637919 1.324858
H 5.105200 -0.880416 1.513667
H 0.461224 -1.398049 1.796803
H 0.459601 -2.238327 0.223837
H 6.704715 -0.279868 -0.226135
H 5.919015 1.293557 -0.536584
H 6.145025 0.114170 -1.857898
H -1.847169 -2.023344 -0.286073
H -3.718117 1.859989 -0.610930
H -2.007465 3.885823 -0.648936
H -2.149944 3.690861 1.109586
H -0.554040 3.698857 0.348324
H 1.395124 1.090687 0.842657


%chk=000116406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116406

0 1
S -4.474855 -0.903185 -1.248285
O 0.627456 1.639247 0.784551
N 1.858325 -0.569139 0.413478
N 4.613751 -0.411066 -0.473830
N -5.933759 -1.655396 1.208248
C 2.211564 -0.596347 -1.042220
C 2.970145 -1.138443 1.232920
C 3.518625 0.173170 -1.282584
C 4.274898 -0.371051 0.966373
C 0.538136 -1.235161 0.692520
C -0.630057 -0.376976 0.224873
C 5.925298 0.200318 -0.765609
C -0.547618 1.046936 0.353991
C -1.821443 -0.961407 -0.251331
C -1.663137 1.880787 0.041893
C -2.922257 -0.137478 -0.558946
C -2.850453 1.266184 -0.412764
C -1.543079 3.379118 0.209597
C -5.316916 -1.334271 0.230893
H 1.384659 -0.134344 -1.609720
H 2.333245 -1.647892 -1.382319
H 3.117610 -2.213495 0.987948
H 2.695519 -1.053465 2.300264
H 3.787123 0.100883 -2.352434
H 3.355804 1.256349 -1.045200
H 4.161428 0.680692 1.338227
H 5.093686 -0.843469 1.539611
H 0.481208 -1.363379 1.792474
H 0.494861 -2.247884 0.237225
H 6.712870 -0.318083 -0.190264
H 5.972085 1.289724 -0.514994
H 6.156780 0.085434 -1.839383
H -1.895434 -2.048855 -0.364427
H -3.720580 1.885585 -0.654629
H -2.467611 3.894119 -0.101276
H -1.329860 3.641148 1.262331
H -0.696509 3.774689 -0.380892
H 1.368091 0.858905 0.749088


