%chk=000212889.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212889

0 1
S 2.830272 -0.370911 -2.068351
S -4.907055 -0.558495 1.378393
O 2.746462 3.516851 1.358208
O 4.009341 1.772132 -0.687342
O 3.373216 0.460650 -3.115410
O 1.923913 -1.450070 -2.406030
O -5.895525 -0.203726 2.377381
O -4.488277 -1.926725 1.198727
N -0.079661 2.760674 2.000390
N 4.228703 -1.023458 -1.300686
N -5.616004 0.019440 -0.082308
C 0.094035 1.018964 0.472710
C -1.243993 0.993352 1.041749
C 0.783147 2.126154 1.091264
C -1.326836 2.089768 1.973811
C 0.745553 0.243559 -0.476999
C 2.061073 0.559219 -0.834878
C 2.117385 2.426920 0.771582
C -2.349538 0.170580 0.855028
C 2.740565 1.635407 -0.219024
C -3.515678 0.444071 1.578006
C -2.491842 2.359706 2.698603
C -3.582297 1.518066 2.483439
C 4.256082 -2.073412 -0.349994
C 3.325736 3.206165 2.658853
C -5.154231 -0.244228 -1.399792
C 4.754315 2.988027 -0.394096
C 3.130619 -2.889262 -0.118481
C 5.446787 -2.287479 0.381191
C -4.248041 -1.287250 -1.668732
C -5.612689 0.584537 -2.448118
C 3.200320 -3.890796 0.849040
C 5.491348 -3.299024 1.339822
C -3.784766 -1.470721 -2.972540
C -5.139668 0.376649 -3.743036
C 4.371272 -4.098893 1.586136
C -4.218445 -0.641461 -4.011258
H 0.134131 3.601960 2.509239
H 0.231957 -0.605869 -0.950523
H -2.296636 -0.673217 0.158162
H -2.549212 3.185985 3.400914
H -4.512592 1.695307 3.041215
H 5.139865 -0.598277 -1.519733
H -6.488843 0.560530 -0.022164
H 4.076189 2.416756 2.563653
H 2.543394 2.914427 3.362931
H 3.781165 4.162253 2.940156
H 5.511401 2.977706 -1.189629
H 4.109988 3.872336 -0.463027
H 5.197273 2.895612 0.600387
H 2.220491 -2.779612 -0.714274
H 6.324002 -1.675236 0.197881
H -3.943036 -1.990189 -0.887901
H -6.324873 1.380406 -2.251761
H 2.329637 -4.523339 1.026071
H 6.410191 -3.465689 1.901543
H -3.080276 -2.277612 -3.180944
H -5.490885 1.016606 -4.552577
H 4.412249 -4.882361 2.336944
H -3.847681 -0.791858 -5.021721


%chk=000212889-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212889

0 1
S 2.967425 -0.609002 -2.104959
S -5.078125 -1.009291 1.338154
O 2.539444 3.338363 1.486073
O 4.047190 1.723274 -0.497750
O 3.422895 0.405175 -3.290546
O 2.044350 -1.903231 -2.431883
O -6.098038 -0.754862 2.578729
O -4.530148 -2.476574 0.917329
N -0.197563 2.454627 2.003321
N 4.634600 -1.246887 -1.296981
N -6.066579 -0.351125 -0.215378
C 0.031645 0.726811 0.489633
C -1.311541 0.674380 1.054296
C 0.683360 1.844836 1.107893
C -1.420285 1.769549 1.987401
C 0.730767 -0.048737 -0.461037
C 2.038190 0.350389 -0.762185
C 2.018933 2.211408 0.824978
C -2.412510 -0.185688 0.855351
C 2.703347 1.450949 -0.156547
C -3.573817 0.101727 1.588236
C -2.600900 2.023644 2.719430
C -3.702144 1.171710 2.504702
C 4.454461 -2.041842 -0.128803
C 3.824308 3.143552 2.208038
C -5.295512 -0.124087 -1.389028
C 4.220652 2.886924 -1.421893
C 3.923618 -3.355544 -0.265918
C 4.844780 -1.566050 1.156350
C -4.742532 -1.246486 -2.069851
C -5.103278 1.185386 -1.915877
C 3.798490 -4.177991 0.871103
C 4.750699 -2.413154 2.279822
C -4.004949 -1.050294 -3.254428
C -4.398575 1.363907 -3.124890
C 4.218490 -3.717536 2.143659
C -3.835520 0.250056 -3.791757
H 0.032809 3.281554 2.551052
H 0.297807 -0.920026 -0.962172
H -2.371093 -1.048743 0.184051
H -2.668362 2.848559 3.435226
H -4.638763 1.300361 3.057014
H 5.109172 -0.341538 -1.104343
H -6.550712 0.488075 0.154494
H 4.615048 2.812961 1.514835
H 3.693820 2.398559 3.014809
H 4.063148 4.128884 2.634384
H 5.308153 3.030961 -1.504606
H 3.793717 2.621919 -2.403718
H 3.740821 3.784279 -0.992617
H 3.628222 -3.707559 -1.258281
H 5.236073 -0.545679 1.258605
H -4.909665 -2.247766 -1.661800
H -5.517932 2.052113 -1.384930
H 3.386686 -5.187293 0.764012
H 5.078609 -2.054373 3.261857
H -3.576106 -1.915128 -3.772146
H -4.273825 2.371280 -3.537162
H 4.133256 -4.369922 3.019392
H -3.273015 0.391847 -4.720642


