%chk=000236059.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236059

0 1
S -1.590322 1.238322 0.002354
O -2.821859 1.173576 0.768424
O -0.582956 2.261306 0.281753
O 3.472940 -0.701762 -0.491553
N -1.407095 -1.507441 -0.020016
N 0.837614 -1.860944 0.004022
N 1.578112 0.510713 0.081307
N -2.111367 1.499632 -1.611709
C -0.798721 -0.240648 -0.003664
C 0.607551 -0.492815 0.017246
C -0.402026 -2.451829 -0.023471
C -2.852241 -1.738695 -0.026199
C 2.986876 0.332825 -0.113387
C 3.755099 1.590272 0.183359
H -0.556254 -3.524041 -0.039144
H -3.378230 -0.998899 0.626080
H -3.266579 -1.632293 -1.047572
H -3.097402 -2.746665 0.349055
H 1.212250 1.467927 0.300123
H -1.500470 1.999029 -2.252683
H -3.072606 1.795695 -1.765284
H 3.455044 2.432475 -0.455352
H 4.831050 1.420856 0.012109
H 3.642392 1.911503 1.229000


%chk=000236059-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236059

0 1
S -1.593117 1.336832 -0.019232
O -2.813693 1.397799 1.055875
O -0.378838 2.446505 0.017825
O 3.630913 -0.827410 -0.031551
N -1.396175 -1.493639 -0.064192
N 0.850323 -1.891245 -0.000617
N 1.651589 0.458586 0.060601
N -2.472891 1.344147 -1.648397
C -0.737718 -0.249223 -0.041135
C 0.656604 -0.512655 0.003971
C -0.390189 -2.435839 -0.040336
C -2.850780 -1.723966 -0.098680
C 3.055316 0.283918 0.063018
C 3.800925 1.611156 0.209799
H -0.590471 -3.504852 -0.051213
H -3.325681 -1.309238 0.805972
H -3.287244 -1.236281 -0.986216
H -3.029817 -2.809191 -0.147203
H 1.276819 1.421441 0.112458
H -1.813815 1.622592 -2.395633
H -3.279484 1.987005 -1.563648
H 3.411669 2.382482 -0.479500
H 4.867244 1.442317 0.001591
H 3.699313 1.996857 1.241237


