%chk=000198349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198349

0 1
S -0.432013 1.135757 0.198426
S 3.925355 -0.785401 -1.041579
O -2.584023 -2.413842 -1.056066
O -5.049734 1.149627 1.341497
O -3.235426 1.208763 2.655248
O 1.899185 -3.205573 -0.039196
O 3.801783 0.338274 1.806359
O 1.646569 0.454113 1.201698
N -2.274209 -0.729114 0.640820
N 0.535810 -1.565491 -0.873499
N 2.657390 2.938112 -0.260825
C -0.848237 -0.456278 0.999962
C -2.159829 1.516408 -0.397370
C -3.074324 0.449084 0.280849
C -0.427759 -1.728584 0.199514
C -1.918026 -1.795347 -0.292783
C -2.467783 2.936958 0.024697
C -2.173004 1.344179 -1.905685
C -3.704189 0.961516 1.575853
C 1.742038 -2.296461 -0.828837
C 2.765130 -1.898373 -1.863439
C 3.313112 0.878870 -1.439137
C 3.381014 1.659854 -0.122531
C 2.799335 0.757100 0.981971
H -0.616920 -0.431654 2.080302
H -3.906782 0.137965 -0.417269
H -0.153922 -2.597405 0.856126
H -1.849197 3.669615 -0.512044
H -3.515246 3.203163 -0.178201
H -2.286935 3.110856 1.098246
H -1.419784 1.974680 -2.397901
H -1.980520 0.309801 -2.219775
H -3.144089 1.631788 -2.335342
H 0.469900 -0.698350 -1.409309
H -5.546033 1.455630 2.146939
H 2.342698 -1.486708 -2.795981
H 3.342731 -2.802617 -2.175874
H 2.291234 0.867066 -1.859660
H 3.957053 1.354972 -2.206360
H 4.456903 1.889778 0.135300
H 1.658351 2.798474 -0.405840
H 2.774902 3.524291 0.561764
H 3.494689 -0.296097 2.513534


%chk=000198349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198349

0 1
S -0.580975 1.380226 -0.229873
S 4.222319 -0.812297 -1.467269
O -2.555970 -2.449419 -1.027021
O -5.014077 1.410331 1.549347
O -2.998033 1.162056 2.682522
O 2.045043 -3.098477 -0.022589
O 4.229633 0.201053 2.144541
O 2.033090 0.143098 1.396435
N -2.216031 -0.613343 0.542330
N 0.614176 -1.508312 -0.953880
N 3.059798 2.799064 0.246655
C -0.810260 -0.221791 0.791269
C -2.494225 1.541639 -0.615957
C -3.194518 0.445163 0.312579
C -0.351347 -1.569077 0.111367
C -1.872122 -1.728285 -0.282593
C -2.924479 2.989598 -0.312748
C -2.735981 1.180940 -2.097909
C -3.673209 1.022233 1.643588
C 1.800445 -2.239061 -0.916550
C 2.777485 -1.907725 -2.042097
C 3.376342 0.876120 -1.247907
C 3.700170 1.478185 0.136365
C 3.217046 0.525390 1.246649
H -0.513735 -0.024726 1.825232
H -4.063555 0.031529 -0.226441
H -0.003164 -2.324204 0.837081
H -2.417000 3.688723 -1.000066
H -4.015257 3.100789 -0.457803
H -2.670013 3.284452 0.719330
H -2.105323 1.803464 -2.755721
H -2.508374 0.121043 -2.305076
H -3.795295 1.363205 -2.364858
H 0.478970 -0.786414 -1.666424
H -5.311857 1.804598 2.414474
H 2.296263 -1.428051 -2.911204
H 3.275332 -2.834530 -2.367371
H 2.285744 0.737891 -1.345436
H 3.734785 1.559851 -2.031709
H 4.790531 1.601317 0.242925
H 2.033689 2.765555 0.270031
H 3.460313 3.416548 0.957628
H 3.880822 -0.418948 2.842760


