%chk=000216852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216852

0 1
S -3.464309 -0.159071 -0.228081
P 0.845372 0.052382 0.490031
O 2.002224 0.957454 1.435301
O 0.011109 -0.943170 1.414180
O -2.896519 1.283035 0.850668
O -2.381214 -0.356640 -1.432449
O -5.013500 0.050091 -0.635909
N 1.771162 -0.739127 -0.728266
N 0.031679 1.341677 -0.362479
C 2.940577 -0.040223 -1.317701
C 3.828758 0.639206 -0.245350
C 3.049952 1.643842 0.623989
C 1.410135 -2.097897 -1.195371
C -0.700308 2.431079 0.317601
C 2.324552 -3.201484 -0.624514
C -2.237776 2.401435 0.138161
C -3.271067 -1.458517 1.130842
H 2.612366 0.713218 -2.066070
H 3.538377 -0.798776 -1.855182
H 4.272347 -0.134188 0.408350
H 4.655296 1.176530 -0.751635
H 3.698077 2.122590 1.375580
H 2.570316 2.421409 -0.004535
H 0.363649 -2.293216 -0.901623
H 1.437637 -2.102422 -2.303668
H -0.392135 1.025280 -1.245183
H -0.348101 3.409518 -0.074300
H -0.457901 2.402516 1.394668
H 3.385217 -3.020305 -0.879981
H 2.232999 -3.238891 0.474597
H 2.041743 -4.188588 -1.036365
H -2.495649 2.369228 -0.940313
H -2.685836 3.313471 0.575330
H -3.604871 -2.406549 0.684583
H -2.191831 -1.426896 1.388928
H -3.926533 -1.117299 1.943963


%chk=000216852-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216852

0 1
S -3.586162 0.143814 -0.179733
P 0.648574 -0.150213 0.312845
O 1.771399 0.680336 1.376768
O -0.219233 -1.228790 1.111209
O -2.818741 1.444892 0.955415
O -2.684656 0.082223 -1.539409
O -5.169881 0.417597 -0.334073
N 1.602591 -0.847645 -0.949588
N -0.123651 1.203323 -0.457348
C 2.728548 -0.014020 -1.455350
C 3.636538 0.519411 -0.315655
C 2.863665 1.417648 0.673039
C 1.628245 -2.316731 -1.145936
C -0.610903 2.380607 0.289726
C 2.754880 -3.050820 -0.386253
C -2.141284 2.541952 0.238595
C -3.245419 -1.312862 0.978089
H 2.318608 0.839772 -2.030676
H 3.314119 -0.636575 -2.154907
H 4.084598 -0.328946 0.232971
H 4.461002 1.117448 -0.753013
H 3.511624 1.773063 1.490789
H 2.427912 2.288901 0.142796
H 0.649780 -2.709463 -0.817859
H 1.711369 -2.504317 -2.234701
H -0.697543 0.935680 -1.270996
H -0.166117 3.307740 -0.132308
H -0.277283 2.306950 1.340017
H 3.755301 -2.687450 -0.686161
H 2.640644 -2.912168 0.703120
H 2.713227 -4.134522 -0.603389
H -2.487003 2.594086 -0.814192
H -2.452097 3.470046 0.753332
H -3.670305 -2.193690 0.475592
H -2.142931 -1.346049 1.097087
H -3.773421 -1.060525 1.907954


