%chk=000230090.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230090

0 1
S 2.220362 1.074255 1.409310
O 1.430684 -1.149659 -1.116874
O -2.047177 -1.509395 1.703684
O 2.553245 -2.478005 0.307100
O 3.533513 0.106469 -1.652038
N -0.428188 -0.409010 0.542945
N 4.098972 2.198845 -1.014315
C 0.652390 -1.195752 1.152971
C 1.449584 -0.375364 2.172484
C -1.767399 -0.681960 0.852046
C 1.641373 -1.709519 0.099379
C -2.764086 0.136057 0.094821
C 3.785152 0.479474 0.721853
C -3.772335 0.793290 0.813549
C -2.722046 0.214913 -1.303527
C -4.729749 1.546969 0.129270
C -3.686004 0.966279 -1.981479
C -4.685877 1.634384 -1.266268
C 3.772694 0.877286 -0.731395
H 0.197937 -2.096398 1.679542
H 0.768144 0.016567 2.962123
H 2.194137 -1.009211 2.694781
H -0.152728 0.274011 -0.164559
H 4.634504 0.912387 1.286508
H 3.911182 -0.625757 0.812314
H -3.810471 0.704945 1.900905
H -1.950499 -0.315258 -1.863775
H -5.513651 2.060962 0.683974
H -3.659347 1.028150 -3.068631
H -5.435093 2.220435 -1.798047
H 2.218938 -1.279786 -1.753990
H 4.196042 2.904901 -0.305668
H 4.047998 2.528394 -1.968294


%chk=000230090-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230090

0 1
S 2.105219 1.216300 1.278833
O 1.513111 -1.009703 -1.257150
O -1.898744 -0.751197 2.170928
O 2.619229 -2.381767 0.265970
O 3.658145 0.238138 -1.705116
N -0.563267 -0.600762 0.287387
N 4.991615 1.932562 -0.925527
C 0.561730 -1.255190 0.948105
C 1.272145 -0.338426 1.994547
C -1.760420 -0.407299 0.948391
C 1.639244 -1.664085 -0.059074
C -2.880720 0.229566 0.167886
C 3.829825 0.563724 0.752601
C -3.998713 0.697814 0.904474
C -2.876565 0.363250 -1.245905
C -5.086665 1.305305 0.244825
C -3.967684 0.969399 -1.906110
C -5.072833 1.446299 -1.163206
C 4.134989 0.884492 -0.707459
H 0.200640 -2.139231 1.505659
H 0.514433 0.056519 2.690345
H 2.026955 -0.913331 2.554979
H -0.378893 -0.251804 -0.656180
H 4.572083 1.018960 1.427578
H 3.832656 -0.529636 0.886522
H -3.988056 0.565409 1.991335
H -2.046905 -0.025150 -1.848440
H -5.943797 1.666452 0.823670
H -3.959347 1.062525 -2.997623
H -5.918109 1.916514 -1.678113
H 2.442445 -0.681714 -1.615544
H 5.389812 2.473397 -0.160008
H 5.218641 2.186571 -1.887880


