%chk=000208110.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208110

0 1
S 3.548669 2.017401 -0.831993
O 2.524971 -1.891111 1.721397
N -2.148445 -0.529782 -0.350922
C -1.952754 0.876563 -0.836560
C -3.610201 -0.863137 -0.255147
C -2.619855 1.863895 0.135217
C -4.300986 0.097442 0.727524
C -4.113692 1.557192 0.296360
C -1.457424 -1.515908 -1.248031
C 0.073425 -1.388155 -1.145940
C 0.572118 -1.600257 0.285460
C 2.104110 -1.530408 0.383777
C 2.635536 -0.139260 0.173968
C 2.771567 0.801916 1.271645
C 3.023130 0.372162 -1.029132
C 3.251485 2.012004 0.885879
H -2.343319 1.033950 -1.864488
H -0.857735 1.074536 -0.868875
H -3.697428 -1.903796 0.125123
H -4.124553 -0.829609 -1.239420
H -2.471672 2.897568 -0.225283
H -2.118307 1.800638 1.122002
H -3.875056 -0.047474 1.740861
H -5.374657 -0.151955 0.799074
H -4.564330 2.236365 1.043133
H -4.647086 1.746444 -0.653961
H -1.761201 -1.418514 -2.313272
H -1.758188 -2.537275 -0.924346
H 0.394080 -0.387954 -1.504989
H 0.538046 -2.124455 -1.829635
H 0.213808 -2.571934 0.673988
H 0.110459 -0.837444 0.952486
H 2.592992 -2.256083 -0.308296
H 2.021621 -2.661086 2.044351
H 2.515987 0.505293 2.283248
H 3.038208 -0.107057 -1.990564
H 3.448976 2.880585 1.488161


%chk=000208110-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208110

0 1
S 3.749609 1.985303 -0.878850
O 2.552644 -1.958638 1.775318
N -2.146527 -0.512291 -0.375534
C -1.915809 0.900814 -0.774050
C -3.598079 -0.808592 -0.261154
C -2.549038 1.878025 0.237862
C -4.278238 0.110373 0.773276
C -4.058664 1.596012 0.408479
C -1.462899 -1.481272 -1.269062
C 0.078101 -1.443367 -1.164644
C 0.587112 -1.689051 0.270774
C 2.126886 -1.580827 0.405658
C 2.638061 -0.173407 0.184385
C 2.386290 0.911308 1.112952
C 3.355541 0.234103 -0.928145
C 2.908156 2.124347 0.704958
H -2.341939 1.098807 -1.795156
H -0.828269 1.083879 -0.831546
H -3.712339 -1.867852 0.038384
H -4.114972 -0.686122 -1.251852
H -2.380598 2.917294 -0.104501
H -2.036979 1.760425 1.212761
H -3.842613 -0.093635 1.770720
H -5.358742 -0.126491 0.822142
H -4.493538 2.255901 1.182943
H -4.584463 1.821744 -0.542823
H -1.755648 -1.325693 -2.341265
H -1.814880 -2.493585 -0.986010
H 0.465818 -0.474980 -1.533441
H 0.483267 -2.216345 -1.850261
H 0.274544 -2.707153 0.592618
H 0.099136 -0.974889 0.958453
H 2.599270 -2.264958 -0.334155
H 2.108458 -2.813414 2.011796
H 1.863806 0.764939 2.060782
H 3.698694 -0.359962 -1.774199
H 2.881141 3.090550 1.205187


