%chk=000194116.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194116

0 1
S 0.489750 0.611325 0.096942
O -0.909014 -3.643276 -0.274026
O -4.458262 1.489961 -0.248608
O 3.358732 -2.345212 1.740559
O -3.958911 -2.258195 0.518505
O -3.960074 -1.728488 -1.659838
O 2.653671 2.764343 1.056373
O 2.193827 1.888072 -0.959928
O -3.278797 3.242193 0.669310
N -1.282388 -1.411057 0.542311
N 1.850210 -1.982458 0.065160
N 5.045408 2.514709 -1.411354
N -5.332571 2.565661 1.525058
C -0.107825 -0.729991 1.156752
C 0.709393 -2.047622 0.961209
C -0.567987 -2.638038 0.256547
C -2.282715 -0.740233 -0.190314
C -2.224672 0.570068 -0.531493
C -1.080389 1.473845 -0.232257
C 3.161528 -2.091806 0.567441
C -3.388447 1.247553 -1.210055
C 4.256504 -1.911034 -0.465107
C -3.456591 -1.601102 -0.568084
C 4.365144 -0.463422 -0.953824
C 4.832596 0.485505 0.155640
C 4.535035 1.972060 -0.131258
C 3.021631 2.185778 -0.124737
C -4.258094 2.522604 0.658801
H -0.285793 -0.408336 2.200157
H 0.977780 -2.561702 1.918547
H 1.676356 -1.642506 -0.882466
H -1.345364 2.144115 0.623588
H -0.863145 2.154798 -1.088977
H -3.111892 2.206409 -1.686785
H -3.913048 0.596544 -1.945950
H 5.217089 -2.237307 -0.005598
H 4.098273 -2.597283 -1.322926
H 5.073114 -0.426445 -1.806175
H 3.389348 -0.121953 -1.365988
H 5.920392 0.359571 0.326438
H 4.365320 0.205203 1.126178
H 4.983922 2.594780 0.698979
H -4.719614 -2.860939 0.274471
H 6.051484 2.391277 -1.478704
H 4.619373 2.050674 -2.211121
H 1.664983 2.873897 1.152006
H -5.406973 3.318900 2.191755
H -6.126096 1.955458 1.409045


%chk=000194116-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194116

0 1
S 0.134539 0.923394 -0.795865
O -0.875393 -3.448400 -0.514337
O -5.035549 1.298130 0.155281
O 3.123666 -2.271897 1.741457
O -3.594540 -2.626387 0.697896
O -4.716456 -1.699999 -1.112648
O 2.808010 2.247434 0.535648
O 3.540289 2.607313 -1.641557
O -3.763317 3.134216 0.925327
N -1.390884 -1.158890 0.183696
N 1.885091 -1.684152 -0.136200
N 6.173627 2.267538 -0.876364
N -5.633666 2.324516 2.091524
C -0.242922 -0.327636 0.585534
C 0.646161 -1.632281 0.595275
C -0.613861 -2.348350 -0.011290
C -2.628757 -0.685768 -0.295367
C -2.772254 0.624585 -0.698360
C -1.634049 1.627478 -0.771806
C 3.088440 -2.012193 0.503123
C -4.141600 1.202834 -1.038825
C 4.326711 -1.984780 -0.391895
C -3.753250 -1.680212 -0.313524
C 4.725194 -0.535298 -0.795957
C 5.067650 0.349937 0.425098
C 5.150606 1.884572 0.092581
C 3.787208 2.311477 -0.448155
C -4.725109 2.333922 1.061429
H -0.374208 0.215033 1.532649
H 0.871165 -1.965256 1.625524
H 1.880628 -1.501770 -1.141967
H -1.721818 2.356650 0.051920
H -1.704728 2.194588 -1.717851
H -4.031834 2.210284 -1.474859
H -4.707299 0.541937 -1.709954
H 5.144006 -2.459286 0.177003
H 4.150039 -2.588312 -1.303657
H 5.591484 -0.583371 -1.482174
H 3.901463 -0.075006 -1.376909
H 6.041788 0.039402 0.851873
H 4.313343 0.216390 1.222281
H 5.301852 2.410621 1.057074
H -4.296320 -3.326330 0.608685
H 7.095223 1.848810 -0.762136
H 5.846236 2.392702 -1.836055
H 1.890330 2.306266 0.128585
H -5.546448 3.020115 2.827204
H -6.388287 1.642328 2.107243


