%chk=000198445.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198445

0 1
S -2.564988 -2.472180 -2.050027
S 1.622576 -2.482386 -0.738922
S -4.898070 0.098441 -2.052709
P -3.188745 -0.563466 -1.521393
O -2.909857 -0.680792 0.105769
O -1.864800 0.227447 -2.110838
O 3.266640 0.060512 0.986076
O 1.325457 0.666698 -0.005550
C -1.068727 -2.728994 -1.001887
C 0.088211 -1.925892 -1.535763
C 3.859081 1.401274 0.749889
C 1.630405 -1.598659 0.836077
C 5.348535 1.119267 0.832807
C 3.337503 2.332878 1.829657
C -3.601223 0.251973 0.992928
C -1.852130 1.681455 -2.165849
C 2.000077 -0.180232 0.538646
C -3.174124 -0.208755 2.373977
C -1.412455 2.252595 -0.833595
H -1.300514 -2.490099 0.057660
H -0.887205 -3.824396 -1.052937
H 0.235977 -2.062536 -2.629522
H -0.045375 -0.821824 -1.396394
H 3.541351 1.724017 -0.266802
H 2.376546 -2.095256 1.497454
H 0.653281 -1.652912 1.356151
H 5.629086 0.709861 1.812610
H 5.653430 0.375548 0.083653
H 5.936930 2.028659 0.667423
H 3.837286 3.307714 1.794968
H 2.259007 2.508704 1.711279
H 3.492452 1.917276 2.833243
H -4.696034 0.170645 0.847191
H -3.247246 1.283525 0.768334
H -2.823352 2.078783 -2.514523
H -1.088055 1.842610 -2.956437
H -3.655250 0.385206 3.159468
H -3.439959 -1.263232 2.535579
H -2.086796 -0.132556 2.502326
H -1.116921 3.303514 -0.928486
H -2.192835 2.195515 -0.059512
H -0.531470 1.703850 -0.446319


%chk=000198445-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198445

0 1
S -2.662442 -2.491433 -2.171590
S 1.528644 -2.422500 -0.280337
S -5.042545 0.366825 -2.080776
P -3.183553 -0.359190 -1.546405
O -2.819205 -0.343363 0.173458
O -1.773315 0.458271 -2.118619
O 3.229937 0.205543 1.135864
O 1.600480 1.140722 -0.255178
C -1.162336 -2.773174 -1.014306
C 0.126985 -2.135535 -1.535072
C 4.201650 1.306424 0.773926
C 1.170870 -0.983722 0.921276
C 5.589747 0.699409 0.985671
C 3.908895 2.531235 1.651680
C -3.911362 -0.719727 1.119700
C -1.788627 1.952137 -2.266419
C 1.979637 0.234777 0.528493
C -3.373597 -0.450464 2.522524
C -1.456963 2.654346 -0.950275
H -1.447230 -2.371373 -0.029021
H -1.085514 -3.872038 -0.947597
H 0.472070 -2.602906 -2.471589
H 0.021153 -1.050879 -1.693451
H 4.023473 1.551035 -0.289946
H 1.454536 -1.346532 1.919539
H 0.094867 -0.756210 0.873585
H 5.737524 0.421994 2.044141
H 5.720891 -0.203750 0.366062
H 6.367108 1.433048 0.705256
H 4.630513 3.336897 1.423339
H 2.892714 2.915478 1.462160
H 4.004045 2.273575 2.721457
H -4.163236 -1.788448 0.973254
H -4.806281 -0.108976 0.895436
H -2.773327 2.254248 -2.673325
H -1.009880 2.121836 -3.027590
H -4.146223 -0.704042 3.271793
H -2.477422 -1.060630 2.729976
H -3.108891 0.613961 2.640040
H -1.394040 3.745472 -1.126004
H -2.236034 2.470197 -0.190037
H -0.486015 2.301260 -0.565389


