%chk=000187222.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187222

0 1
S -5.805744 0.136686 0.549230
O 2.199623 1.645658 -1.273813
O -0.904840 2.688135 -1.351071
O 0.742678 4.385778 -0.534266
O 4.620724 2.321881 0.553931
O 2.948810 -4.080558 1.344008
O -5.701310 1.740442 1.075538
O -6.433144 0.185628 -0.741475
O -6.428193 -0.552432 1.647835
N 1.022583 -0.241154 -0.529443
N 0.607578 -2.150497 0.689919
N 3.488556 -0.649334 -0.912263
N 4.317743 -2.657125 0.174582
N 5.828356 -1.131094 -0.883620
C 0.887623 1.074478 -1.204872
C -0.010044 2.091574 -0.437817
C 0.976429 3.149044 0.145642
C 2.388361 2.703135 -0.282506
C 3.240765 2.191090 0.888548
C 2.225286 -0.950860 -0.405136
C 0.039696 -1.055450 0.156571
C 1.957367 -2.112630 0.362911
C -1.394730 -0.754529 0.226590
C 3.031254 -3.066455 0.708529
C 4.523860 -1.568311 -0.521667
C -2.068786 -0.979949 1.439728
C -2.098389 -0.286797 -0.895046
C -3.436148 -0.715035 1.532787
C -3.464658 -0.016007 -0.791260
C -4.129913 -0.220584 0.422580
H 0.580410 0.927472 -2.271417
H -0.668161 1.631270 0.331430
H 0.857317 3.286882 1.237928
H 2.928125 3.492219 -0.864450
H 2.994237 1.153697 1.172827
H 3.136810 2.852083 1.775731
H -0.439507 3.405367 -1.878176
H -0.013434 4.866821 -0.116896
H 3.647980 0.215328 -1.438293
H 4.956901 1.504203 0.122591
H -1.524233 -1.385018 2.298125
H -1.591963 -0.139862 -1.848593
H -3.962733 -0.902220 2.477128
H -4.012981 0.352152 -1.667907
H 5.965345 -0.931701 -1.871010
H 6.566513 -1.754617 -0.539086
H -6.505924 2.125398 1.447695


%chk=000187222-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187222

0 1
S -6.137475 -0.160365 0.417041
O 2.194846 1.535798 -1.565281
O -0.538656 2.991719 -1.554983
O 1.009271 4.475824 0.027075
O 4.828886 1.941320 -0.766165
O 2.734398 -3.788477 2.017461
O -6.106400 1.379190 1.470328
O -6.715547 0.233545 -1.042297
O -6.818048 -1.347626 1.280351
N 0.966641 -0.206025 -0.445105
N 0.479337 -1.957595 0.956937
N 3.430686 -0.677210 -0.660477
N 4.209543 -2.571509 0.645245
N 5.700279 -1.313346 -0.663106
C 0.854219 1.043782 -1.259280
C 0.132627 2.206800 -0.532477
C 1.288218 3.036624 0.121811
C 2.539412 2.721757 -0.728724
C 3.767786 2.418567 0.133405
C 2.151136 -0.897991 -0.188293
C -0.058900 -0.928178 0.265866
C 1.844147 -1.957855 0.689027
C -1.508475 -0.683825 0.242703
C 2.910887 -2.855075 1.190062
C 4.417800 -1.568343 -0.194086
C -2.270662 -1.297891 1.283898
C -2.193370 0.056214 -0.764995
C -3.665341 -1.144368 1.348265
C -3.592208 0.220855 -0.714513
C -4.287098 -0.377071 0.346554
H 0.364632 0.824892 -2.222062
H -0.595534 1.860126 0.221026
H 1.424605 2.726623 1.175947
H 2.751236 3.549019 -1.426940
H 3.527145 1.645710 0.893679
H 4.069278 3.353049 0.650278
H -0.309434 3.949799 -1.390404
H 0.556157 4.796639 0.846702
H 3.659823 0.170776 -1.199075
H 5.643863 1.746263 -0.237564
H -1.737076 -1.898945 2.025469
H -1.665987 0.501435 -1.611833
H -4.255543 -1.614515 2.140643
H -4.124973 0.783372 -1.486924
H 5.858143 -0.742859 -1.492034
H 6.409771 -1.986259 -0.378055
H -7.057947 1.629826 1.657204


