%chk=000201132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201132

0 1
S 1.861756 1.970970 -0.185784
O 3.120027 2.697008 -0.336725
O 0.800199 2.242342 -1.127479
N -2.201432 -0.208891 0.627755
N -0.862384 -0.532885 -1.208469
N -0.548880 -0.301753 2.480177
C 1.365317 -0.777853 -0.109804
C -0.087606 -0.557075 -0.052039
C 2.287204 0.272572 -0.145846
C -0.887035 -0.391373 1.100948
C -2.139873 -0.315766 -0.813269
C 1.813014 -2.112141 -0.116485
C 3.656784 -0.022434 -0.203145
C -3.405972 0.032677 1.303014
C -3.363103 -0.183859 -1.547365
C 3.178913 -2.391314 -0.166369
C 1.268483 2.294667 1.431883
C 4.106281 -1.343910 -0.204526
C -4.548624 0.149515 0.561985
C -4.527438 0.038780 -0.873060
H 1.085578 -2.923327 -0.112789
H 4.387824 0.798888 -0.256048
H -3.365171 0.132580 2.389192
H -3.302888 -0.258409 -2.635542
H 3.523281 -3.425963 -0.182435
H 0.203900 2.043245 1.563082
H 1.813846 1.774760 2.224606
H 1.340412 3.363989 1.683444
H 5.172863 -1.557554 -0.249739
H -5.503663 0.340392 1.051281
H -1.069337 -0.971300 3.046166
H 0.447367 -0.465488 2.625112
H -5.472542 0.146607 -1.406323


%chk=000201132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201132

0 1
S 1.847226 2.025879 0.021492
O 3.258826 2.789838 -0.320957
O 0.504474 2.321069 -0.855397
N -2.230539 -0.188828 0.551681
N -0.944812 -0.814036 -1.253549
N -0.576371 -0.101655 2.357091
C 1.319060 -0.883245 -0.152121
C -0.147053 -0.660984 -0.116869
C 2.292823 0.136265 -0.012039
C -0.924174 -0.312272 1.010121
C -2.206978 -0.523548 -0.858766
C 1.817401 -2.198778 -0.370550
C 3.678344 -0.095616 -0.063535
C -3.405663 0.175206 1.208287
C -3.436912 -0.499511 -1.567917
C 3.202304 -2.465907 -0.413962
C 1.460747 2.488437 1.838392
C 4.137804 -1.418220 -0.249637
C -4.592809 0.191460 0.492974
C -4.616139 -0.152546 -0.904323
H 1.089587 -3.004094 -0.513473
H 4.365332 0.756920 -0.013616
H -3.332457 0.467138 2.258980
H -3.416372 -0.749132 -2.631649
H 3.551942 -3.489580 -0.586178
H 0.548349 1.949962 2.134068
H 2.346605 2.214788 2.428975
H 1.316790 3.577771 1.802074
H 5.213069 -1.620229 -0.292618
H -5.512029 0.486628 1.006000
H -1.271829 -0.340113 3.068094
H 0.375565 -0.378340 2.602313
H -5.565009 -0.127027 -1.447982


