%chk=000196038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196038

0 1
S 1.618423 -0.404298 1.792914
O -2.160366 -1.753638 -0.896059
O 0.581156 -1.325372 0.790886
O -0.595449 0.914652 0.245017
O -2.682771 -4.452191 -0.195399
O 2.081263 -1.321536 2.797280
O 0.805624 0.718318 2.239401
N -3.845438 -0.256205 -0.251925
N -5.936274 -0.669564 0.626820
N -4.471180 1.602621 -1.821704
N -6.857262 2.149111 -1.726346
N 7.329591 0.896720 -1.008350
N -8.383203 1.037585 -0.302334
C -0.806054 -1.381157 1.079331
C -1.529262 -0.049597 0.699904
C -1.357431 -2.443046 0.102620
C -2.403747 -0.388609 -0.541832
C -2.248826 -3.498098 0.771117
C -4.724448 0.641123 -0.876380
C -4.654715 -1.039011 0.643560
C -6.020467 0.378146 -0.307059
C 2.770674 0.049296 0.626959
C 4.179528 0.033778 0.885203
C 5.063668 0.459928 -0.151011
C -7.105358 1.181688 -0.771741
C 2.287295 0.466425 -0.604005
C 6.489273 0.450643 0.091779
C 4.733528 -0.374926 2.137573
C 4.524956 0.912618 -1.391631
C 3.166160 0.906696 -1.617677
C -5.576986 2.304382 -2.190547
C 6.981429 0.071999 1.324305
C 6.089411 -0.340117 2.348295
C 7.645181 -0.230777 -1.938528
C 8.568908 1.602026 -0.571992
H -0.951353 -1.644310 2.148433
H -2.112951 0.357618 1.552376
H -0.542687 -2.913915 -0.501124
H -2.138338 0.222044 -1.447612
H -3.138617 -3.044509 1.257795
H -1.687998 -4.110754 1.505089
H -0.306733 1.500744 1.021925
H -4.220524 -1.845014 1.229770
H -3.112552 -3.984792 -0.954484
H 1.200867 0.465395 -0.811553
H 4.081359 -0.744481 2.939101
H 5.212043 1.279698 -2.163578
H 2.754360 1.246589 -2.567903
H -5.435710 3.091525 -2.952015
H 8.049348 0.065205 1.531082
H 6.505851 -0.645802 3.310654
H -8.598414 0.323235 0.376126
H -9.132048 1.608264 -0.661994
H 6.716018 -0.744360 -2.235123
H 8.329947 -0.983532 -1.518195
H 8.101854 0.184923 -2.851865
H 9.334655 0.960348 -0.111605
H 8.305010 2.400811 0.141397
H 9.014283 2.089960 -1.456043


%chk=000196038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000196038

0 1
S 1.683633 -0.859541 2.539195
O -2.546025 -2.461896 0.272680
O 0.421673 -1.714096 1.389858
O -1.262464 0.613491 1.773392
O -3.065569 -5.027809 1.269264
O 2.536041 -1.984390 3.319204
O 0.800153 0.153991 3.480971
N -3.540063 -0.334958 -0.143104
N -5.734768 0.334616 -0.218561
N -2.694331 0.828079 -2.175032
N -4.464039 2.118403 -3.299204
N 6.524168 1.255959 -1.568269
N -6.688424 2.213564 -2.504506
C -0.906042 -1.908888 2.000220
C -1.854166 -0.699529 1.718237
C -1.560101 -3.079133 1.218571
C -2.323312 -0.994700 0.276203
C -2.349952 -4.062803 2.096253
C -3.660163 0.481712 -1.278726
C -4.817078 -0.385872 0.446925
C -5.019828 0.887678 -1.300828
C 2.611961 0.078090 1.180987
C 4.028888 -0.062464 0.991748
C 4.577712 0.710840 -0.119840
C -5.408828 1.746694 -2.370341
C 1.769976 0.907740 0.442016
C 5.998492 0.600484 -0.428823
C 4.906402 -0.829912 1.823101
C 3.729627 1.613310 -0.834466
C 2.360938 1.715692 -0.569004
C -3.187632 1.646330 -3.153491
C 6.827902 -0.117063 0.456062
C 6.280063 -0.811416 1.567888
C 5.972218 0.964088 -2.912710
C 7.959459 1.579475 -1.594774
H -0.807866 -2.117032 3.082781
H -2.718763 -0.781711 2.414115
H -0.798414 -3.612058 0.622240
H -1.532678 -0.710663 -0.444297
H -3.048425 -3.500059 2.755112
H -1.661214 -4.655076 2.722333
H -0.652216 0.673457 2.572754
H -5.020361 -0.976323 1.336649
H -3.574495 -4.518103 0.585492
H 0.690637 0.950813 0.632699
H 4.505846 -1.424031 2.646818
H 4.183850 2.268760 -1.582319
H 1.731665 2.415815 -1.125714
H -2.474509 1.967455 -3.918570
H 7.901976 -0.188576 0.263367
H 6.952330 -1.382498 2.217564
H -7.399111 1.947866 -1.826266
H -6.911486 2.823323 -3.288265
H 4.967414 0.523868 -2.837357
H 6.619116 0.236725 -3.450261
H 5.910545 1.885060 -3.522894
H 8.602624 0.701273 -1.833189
H 8.274940 1.995363 -0.623686
H 8.136573 2.345089 -2.371105


