%chk=000236272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236272

0 1
S -5.662561 0.733874 -0.000229
O 2.924656 3.118640 0.000907
O 0.766915 3.135446 0.000961
O 4.464572 -2.842449 -0.000442
O 5.462893 -0.921545 -0.000048
N -0.599253 0.943345 0.000354
N 1.852417 2.546664 0.000815
N 4.464766 -1.622331 -0.000164
N -1.738768 0.164007 0.000096
C 0.632622 0.312585 0.000225
C 1.837725 1.090913 0.000452
C 3.160104 -0.945763 -0.000037
C 3.091526 0.439386 0.000316
C 0.745867 -1.116601 -0.000170
C 1.970497 -1.731135 -0.000286
C -4.097321 -0.045913 -0.000074
C -2.901191 0.769456 0.000142
C -4.252804 -1.406905 -0.000190
C -5.634379 -1.819625 -0.000404
C -6.514020 -0.779103 -0.000446
H 4.016776 1.045607 0.000491
H -0.174296 -1.712822 -0.000376
H 2.063240 -2.826115 -0.000578
H -0.644566 1.994380 0.000635
H -3.055619 1.864290 0.000391
H -3.434485 -2.118011 -0.000132
H -5.913367 -2.866386 -0.000515
H -7.591445 -0.814288 -0.000593


%chk=000236272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000236272

0 1
S -5.704367 0.857434 0.000167
O 2.912900 3.195738 0.001020
O 0.635895 3.123963 0.000675
O 4.616257 -2.846041 -0.000291
O 5.599880 -0.782174 0.000191
N -0.602279 0.834312 0.000240
N 1.811710 2.530515 0.000603
N 4.562050 -1.552545 -0.000059
N -1.730728 0.033180 0.000008
C 0.652200 0.263963 0.000140
C 1.852830 1.069218 0.000359
C 3.228359 -0.925691 0.000011
C 3.131305 0.469901 0.000306
C 0.806766 -1.161575 -0.000171
C 2.067439 -1.750731 -0.000232
C -4.135670 -0.057888 -0.000043
C -2.891514 0.674631 0.000161
C -4.370608 -1.438006 -0.000394
C -5.760709 -1.785385 -0.000495
C -6.609432 -0.682700 -0.000227
H 4.027532 1.095474 0.000473
H -0.102828 -1.764556 -0.000341
H 2.190257 -2.836866 -0.000459
H -0.618635 1.878179 0.000567
H -2.948667 1.779225 0.000444
H -3.553980 -2.162708 -0.000566
H -6.127934 -2.814056 -0.000756
H -7.697529 -0.655211 -0.000231


