%chk=000221045.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221045

0 1
S -0.675615 -0.542505 0.730076
O -0.114539 0.402096 1.678268
O -0.649793 -1.964680 1.007994
O 3.702177 2.837287 -0.204662
O 2.606764 -1.264084 1.114240
O 3.636911 1.166358 -1.688681
O 2.772989 -3.418881 0.529803
N 0.125274 -0.343593 -0.789766
C 0.712984 0.978583 -1.095657
C 0.752745 -1.525543 -1.425374
C -2.292132 -0.049245 0.358954
C 1.790066 1.463459 -0.106154
C 2.255396 -1.736536 -1.175225
C -3.172170 -0.945349 -0.254940
C -2.718462 1.240956 0.690781
C 3.090018 1.746484 -0.774287
C 2.553706 -2.284920 0.184940
C -4.479066 -0.545786 -0.552014
C -4.024112 1.641570 0.394432
C -4.902655 0.747778 -0.229002
H 1.127791 0.957948 -2.133064
H -0.122374 1.718350 -1.113780
H 0.601427 -1.427566 -2.528445
H 0.192214 -2.440763 -1.104375
H 1.432528 2.339634 0.479996
H 1.969805 0.700604 0.708894
H 2.654842 -2.447195 -1.934607
H 2.825063 -0.788831 -1.349631
H -2.847073 -1.963035 -0.494325
H -2.035030 1.933861 1.194776
H -5.166267 -1.242953 -1.029741
H -4.358558 2.645287 0.653332
H -5.922269 1.059842 -0.460002
H 4.593425 3.031302 -0.602537
H 2.732088 -1.593835 2.045385


%chk=000221045-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000221045

0 1
S -0.641910 -0.556846 0.755789
O -0.133579 0.498937 1.894390
O -0.610303 -2.173665 0.977664
O 4.088530 2.665945 -0.271664
O 2.415372 -1.302672 1.240279
O 3.449262 1.387313 -2.095229
O 2.686555 -3.523546 0.603625
N 0.224125 -0.243457 -0.856474
C 0.729254 1.135305 -1.012943
C 0.870322 -1.411648 -1.476953
C -2.421821 -0.062633 0.346359
C 1.941038 1.584783 -0.139868
C 2.349642 -1.775140 -1.113597
C -3.243192 -1.007515 -0.289673
C -2.847705 1.219154 0.728593
C 3.187843 1.842982 -0.954504
C 2.509055 -2.331028 0.283508
C -4.574116 -0.627114 -0.577465
C -4.182141 1.581243 0.428087
C -5.037195 0.663882 -0.226193
H 0.996262 1.223129 -2.083904
H -0.118324 1.821569 -0.832294
H 0.844054 -1.216892 -2.567098
H 0.230973 -2.290234 -1.276215
H 1.700947 2.486250 0.447905
H 2.175680 0.801830 0.606901
H 2.669385 -2.563549 -1.816620
H 2.997418 -0.896382 -1.266613
H -2.865348 -2.007144 -0.526655
H -2.169201 1.888607 1.267126
H -5.246132 -1.338577 -1.068322
H -4.551278 2.572082 0.712304
H -6.070007 0.950109 -0.452237
H 4.912894 2.777936 -0.819756
H 2.381738 -1.686919 2.157349


