%chk=000201537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201537

0 1
S -1.783917 -1.428915 1.577355
S 4.273375 -0.461984 0.336530
O -0.364677 0.816524 -1.806237
O -5.235550 0.690953 -0.947073
O -4.883164 -1.483260 -0.526986
O 2.290159 -2.818493 -0.977804
N -2.084782 -0.628028 -0.929788
N 0.936286 -1.384291 0.171266
C -1.575003 -1.824976 -0.190178
C -2.770879 0.137229 1.326709
C -3.062633 0.193866 -0.206005
C -0.152067 -1.545963 -0.766263
C -0.742894 -0.189714 -1.302378
C -1.886903 1.297245 1.744966
C -4.011335 0.013970 2.182909
C -4.442653 -0.364816 -0.555942
C 2.157876 -2.070258 -0.032125
C 3.214740 -1.771741 0.993680
C 3.220740 1.022210 0.428656
C 4.133259 2.195969 0.090790
C 3.342829 3.515002 0.075719
C 4.244811 4.701586 -0.252936
H -2.055502 -2.783277 -0.459572
H -3.007546 1.259186 -0.580345
H 0.136356 -2.245347 -1.597916
H -2.432019 2.252458 1.706916
H -0.999249 1.411171 1.108759
H -1.527773 1.190074 2.778836
H -4.568515 -0.920139 1.998472
H -4.707388 0.848685 2.014911
H -3.774370 0.016096 3.257003
H 0.753296 -0.843944 1.015010
H -6.148636 0.410196 -1.226364
H 2.826486 -1.533026 1.999158
H 3.868223 -2.667548 1.125662
H 2.387836 0.942790 -0.297756
H 2.780554 1.130335 1.434364
H 4.613357 2.045805 -0.899491
H 4.965196 2.269280 0.821114
H 2.855660 3.676205 1.056771
H 2.522368 3.453084 -0.667400
H 5.050423 4.815959 0.481385
H 4.713648 4.592537 -1.238313
H 3.676677 5.638908 -0.265264


%chk=000201537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201537

0 1
S -1.745168 -1.314214 1.728062
S 4.494027 -0.586255 0.267664
O -0.175779 0.799764 -1.744227
O -5.343635 0.629437 -0.730379
O -4.662815 -1.594454 -0.674123
O 2.351381 -3.003429 -1.176689
N -1.967247 -0.604010 -0.864352
N 1.045742 -1.594859 0.145731
C -1.532049 -1.803972 -0.110051
C -2.723755 0.326779 1.287124
C -3.019205 0.223244 -0.278896
C -0.093394 -1.628402 -0.731275
C -0.643959 -0.243201 -1.257953
C -1.806664 1.539914 1.556617
C -3.989448 0.374178 2.164021
C -4.389777 -0.381273 -0.581010
C 2.234361 -2.266943 -0.155979
C 3.364806 -2.006200 0.831639
C 3.293981 0.880348 0.413042
C 4.057051 2.189992 0.149456
C 3.114720 3.418568 0.192945
C 3.862564 4.741085 -0.082276
H -2.088577 -2.729199 -0.300123
H -2.974640 1.236104 -0.713260
H 0.127989 -2.339820 -1.546533
H -2.372107 2.481090 1.411818
H -0.933873 1.557627 0.881309
H -1.436508 1.519909 2.596098
H -4.601866 -0.535381 2.046052
H -4.602047 1.256566 1.900894
H -3.710261 0.458563 3.228535
H 0.961530 -1.057404 1.012856
H -6.237956 0.227307 -0.906729
H 2.999176 -1.779843 1.849134
H 4.025800 -2.885461 0.862022
H 2.485856 0.746052 -0.326259
H 2.868578 0.871294 1.435317
H 4.541503 2.139281 -0.845936
H 4.866266 2.313054 0.896078
H 2.623656 3.470103 1.186566
H 2.306387 3.282781 -0.553206
H 4.660977 4.909238 0.664742
H 4.335100 4.727095 -1.082148
H 3.175978 5.606550 -0.045516


