%chk=000194920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194920

1 1
S 5.042810 -1.558140 -0.038685
O 0.378801 -0.013116 0.344178
O -3.270133 1.676724 -0.491359
O -2.669754 3.757565 0.084084
O 1.358787 1.232847 -1.257341
N -2.244422 -1.733423 -0.001047
C -1.882478 -0.450962 0.745497
C -0.933603 0.482840 -0.031971
C -2.828728 -1.402822 -1.356740
C -3.282537 -2.481671 0.810930
C -1.022290 -2.607920 -0.165297
C -1.074391 1.939375 0.408356
C -2.354836 2.604076 0.012530
C 1.512123 0.460840 -0.351631
C 2.720065 -0.172757 0.260620
C 3.722086 -0.582645 -0.810281
C 6.241429 -0.316490 0.474213
H -1.403835 -0.712250 1.723593
H -2.827451 0.105356 0.985820
H -1.032757 0.404522 -1.141255
H -2.053497 -1.053946 -2.067303
H -3.322164 -2.276892 -1.819877
H -3.579214 -0.586308 -1.285353
H -2.926312 -2.699559 1.835883
H -3.541173 -3.453536 0.347176
H -4.224227 -1.906904 0.903740
H -1.218165 -3.472888 -0.824692
H -0.666654 -3.002562 0.806055
H -0.169381 -2.039000 -0.592616
H -0.917255 2.056853 1.507245
H -0.227981 2.536732 -0.038676
H 3.181087 0.556246 0.972652
H 2.435732 -1.041281 0.901335
H 4.127467 0.297482 -1.349095
H 3.262148 -1.229009 -1.585011
H -4.114179 2.124173 -0.791206
H 5.838316 0.388584 1.207615
H 7.084568 -0.846351 0.947651
H 6.647701 0.247314 -0.374737


%chk=000194920-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194920

1 1
S 5.361089 -1.401436 -0.447903
O 0.352785 -0.193092 0.417663
O -3.051427 2.093425 -0.576239
O -2.326063 3.923020 0.666846
O 1.270541 0.953741 -1.398757
N -2.293528 -1.814569 0.024963
C -2.047798 -0.443600 0.709483
C -0.959254 0.444990 0.099678
C -2.361923 -1.667462 -1.495012
C -3.639849 -2.341563 0.529280
C -1.202663 -2.822819 0.398374
C -0.994235 1.858709 0.723034
C -2.157293 2.749330 0.304183
C 1.449630 0.206827 -0.417175
C 2.746667 -0.397039 0.070657
C 3.764978 -0.619384 -1.069922
C 6.186831 0.113569 0.311728
H -1.816205 -0.663261 1.766112
H -3.002552 0.101942 0.642021
H -1.051568 0.547516 -0.994917
H -1.356105 -1.471089 -1.892552
H -2.745785 -2.607783 -1.919518
H -3.035453 -0.834160 -1.746802
H -3.636366 -2.339176 1.629956
H -3.783645 -3.368278 0.159552
H -4.445709 -1.691903 0.155349
H -1.371668 -3.750235 -0.170454
H -1.264583 -3.027560 1.478241
H -0.223148 -2.386346 0.164982
H -0.974290 1.814369 1.828031
H -0.076265 2.395102 0.421528
H 3.173826 0.299504 0.820606
H 2.546198 -1.338000 0.611905
H 4.002576 0.325963 -1.584105
H 3.374649 -1.326494 -1.821023
H -3.754279 2.737361 -0.867123
H 5.639214 0.472165 1.197919
H 7.192929 -0.212292 0.617057
H 6.275443 0.911105 -0.442646


