%chk=000253952.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253952

0 1
S 4.574968 -0.287914 0.239901
S -3.819412 0.570179 -0.305578
O 5.308215 0.718813 -0.496533
O 4.889849 -0.597151 1.618092
O -4.121461 0.413771 -1.706813
O -4.067315 1.789989 0.385950
N 4.787612 -1.754873 -0.631138
N -1.239176 0.905736 -0.252731
N -2.124912 0.051285 -0.150280
N -5.655270 -1.389827 -0.251257
N -4.261440 -1.032711 1.722582
C 2.877355 0.023790 0.099258
C 2.397152 0.773628 -0.979815
C 1.999019 -0.470595 1.067522
C 0.152439 0.515638 -0.133548
C 1.030405 1.028416 -1.104770
C 0.626675 -0.233930 0.954903
C -4.625593 -0.817102 0.509718
H 3.093625 1.177340 -1.725240
H 2.382205 -1.041420 1.922530
H 0.648176 1.620083 -1.938494
H -0.067898 -0.622431 1.702214
H 5.319081 -1.727214 -1.498726
H 5.044450 -2.591069 -0.110916
H -6.025725 -2.279480 0.048293
H -5.621758 -1.284259 -1.264716
H -4.688563 -1.775193 2.267090


%chk=000253952-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253952

0 1
S 4.369751 0.412015 0.166469
S -4.008527 -1.348710 0.106447
O 4.219974 1.984675 0.555317
O 5.356087 -0.629105 0.935398
O -4.589815 -1.491179 -1.439753
O -2.319585 -0.664089 -0.004012
N 4.810430 0.330530 -1.611772
N -1.203626 -2.052194 0.308665
N -1.601677 -3.165696 0.478986
N -5.317323 0.905899 -0.595861
N -4.568983 0.848269 1.781113
C 2.634566 -0.337790 0.191361
C 1.539594 0.527015 0.049039
C 2.522360 -1.724239 0.382789
C 0.110067 -1.422039 0.261966
C 0.242641 -0.027233 0.083612
C 1.228970 -2.279708 0.419287
C -4.751493 0.488243 0.565798
H 1.693307 1.604704 -0.061446
H 3.415173 -2.341389 0.522475
H -0.654746 0.583758 -0.019442
H 1.080485 -3.353145 0.567168
H 4.916845 1.292710 -1.972465
H 5.661548 -0.246550 -1.711963
H -5.814883 1.788997 -0.682072
H -5.250511 0.229462 -1.392450
H -4.907926 1.770290 2.102845


