%chk=000194974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194974

0 1
S -4.454211 0.101068 -0.936098
S -3.500530 0.010566 0.869732
O -0.009554 -0.858785 -1.924223
O 0.176747 3.291805 1.684399
N -1.945748 -1.903926 -1.327179
N -0.640365 1.163230 1.797103
C 1.946747 -2.294657 1.678878
C 3.164411 1.249530 -1.062667
C 3.190969 -1.460209 2.017506
C 2.832884 0.590266 -2.411271
C -2.680045 -1.337392 -2.479527
C -1.933484 1.611315 2.355321
C -3.180023 0.081202 -2.213518
C -3.029606 1.708934 1.294967
C 1.275621 -1.826497 0.429200
C 1.930349 1.804481 -0.422615
C 3.802586 -1.872768 3.351680
C 4.054667 -0.088275 -3.021785
C -0.027482 -2.015338 0.176473
C 1.551673 1.513858 0.825123
C -0.618873 -1.522331 -1.091541
C 0.336877 2.106918 1.439426
H 1.243763 -2.285415 2.538827
H 2.231862 -3.363998 1.556735
H 3.896016 2.073262 -1.213024
H 3.679398 0.522806 -0.403422
H 2.915761 -0.378071 2.046945
H 3.944659 -1.560037 1.211332
H 2.430345 1.346201 -3.113311
H 2.008618 -0.149654 -2.278938
H -1.991225 -1.319381 -3.363807
H -3.520241 -2.022405 -2.733420
H -2.223164 0.923600 3.182893
H -1.789909 2.623999 2.819978
H -3.643177 0.511934 -3.126420
H -2.333981 0.753498 -1.958985
H -3.909039 2.259189 1.682015
H -2.677257 2.269010 0.406570
H 1.913951 -1.308287 -0.302503
H 1.340923 2.475651 -1.056408
H 4.107162 -2.925849 3.352153
H 4.694426 -1.275941 3.579037
H 3.100515 -1.733942 4.182502
H 4.443925 -0.883220 -2.376481
H 3.804055 -0.547040 -3.986144
H 4.869219 0.622716 -3.199289
H -2.513568 -2.306694 -0.586623
H -0.598047 0.209388 1.443753
H -0.688560 -2.531657 0.869391
H 2.121159 0.846244 1.484457


%chk=000194974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194974

0 1
S -3.503379 0.013880 -0.540742
S -2.633968 0.004485 1.562829
O 0.732393 -1.257436 -0.152229
O 0.476487 3.686145 0.032352
N -1.230430 -2.400865 -0.629061
N 0.298300 1.478411 0.769278
C 1.304661 -3.751019 3.438584
C 2.871260 2.289154 -3.410837
C 1.426721 -2.866444 4.712948
C 2.247854 2.741552 -4.761410
C -1.509061 -1.634106 -1.852769
C -0.468120 1.849528 1.958299
C -1.954941 -0.177190 -1.617117
C -2.000145 1.792569 1.772847
C 1.081042 -2.934891 2.192316
C 2.055759 2.727000 -2.219509
C 1.737621 -3.700288 5.973794
C 3.122765 2.353424 -5.972323
C 0.006384 -3.029516 1.362395
C 1.529946 1.902049 -1.273790
C -0.122472 -2.162777 0.159136
C 0.736296 2.446539 -0.128703
H 0.489733 -4.488003 3.574884
H 2.248111 -4.327683 3.331614
H 3.888402 2.731471 -3.339843
H 2.999895 1.189202 -3.408877
H 0.483140 -2.304780 4.854037
H 2.223100 -2.111569 4.557402
H 2.099642 3.839742 -4.742733
H 1.240718 2.292015 -4.862707
H -0.585055 -1.606833 -2.462525
H -2.281668 -2.180561 -2.421338
H -0.165547 1.206580 2.805317
H -0.206189 2.897205 2.203466
H -2.233668 0.288649 -2.580653
H -1.155634 0.423355 -1.158752
H -2.518067 2.197281 2.660530
H -2.315345 2.358897 0.882331
H 1.848983 -2.189025 1.933030
H 1.864175 3.805816 -2.105123
H 2.695698 -4.242736 5.865466
H 1.812433 -3.057205 6.869255
H 0.945787 -4.449561 6.161415
H 3.268864 1.257872 -6.022749
H 2.660308 2.677075 -6.922729
H 4.122843 2.822159 -5.905461
H -1.943780 -3.048371 -0.291551
H 0.524538 0.487396 0.586516
H -0.794211 -3.753916 1.567910
H 1.679016 0.814227 -1.317224


