%chk=000257757.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257757

0 1
S -7.694166 2.327712 0.791900
S 7.692006 2.332069 0.795391
O -8.383662 2.461538 -0.476370
O -8.383577 1.834551 1.968050
O 8.381558 1.838749 1.971391
O 8.381603 2.466984 -0.472708
N -2.504481 -1.808861 -0.269593
N 2.505139 -1.807451 -0.268391
N -2.578192 -0.597579 0.041443
N 2.578017 -0.596111 0.042621
N -2.404028 -4.489029 -0.958208
N 2.406525 -4.487852 -0.956413
N -7.162599 3.912793 1.198452
N 7.159366 3.916602 1.202674
C -6.238558 1.437689 0.563561
C 6.237000 1.441231 0.566381
C -1.224519 -2.402983 -0.421996
C 1.225585 -2.402312 -0.421342
C -1.224199 -3.806109 -0.782389
C 1.226228 -3.805470 -0.781622
C 0.000309 -1.745340 -0.252885
C 0.001242 -4.477473 -0.954536
C -3.884241 -0.005268 0.193373
C 3.883662 -0.003048 0.195111
C -5.650684 0.771152 1.645451
C 5.649452 1.377972 -0.702920
C -5.650779 1.374167 -0.705619
C 5.649390 0.773774 1.647848
C -4.474074 0.044427 1.470212
C -4.474166 0.652826 -0.901877
C 4.473329 0.655978 -0.899720
C 4.473272 0.046380 1.472064
H -0.000057 -0.678016 0.021199
H 0.001600 -5.528537 -1.224569
H -6.122681 0.807236 2.634781
H 6.121317 1.886489 -1.552397
H -6.122841 1.881954 -1.555422
H 6.121215 0.809660 2.637268
H -4.012279 -0.474564 2.308878
H -4.012454 0.601564 -1.886845
H 4.011796 0.604921 -1.884782
H 4.011689 -0.473337 2.310396
H -3.297004 -4.031497 -0.840658
H -2.415685 -5.461355 -1.207565
H 2.418845 -5.460068 -1.206167
H 3.299190 -4.029767 -0.838652
H -7.339951 4.663828 0.535635
H -7.339906 4.252074 2.140940
H 7.336323 4.255517 2.145360
H 7.336326 4.668088 0.540264


%chk=000257757-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257757

0 1
S -7.895269 1.991500 1.744400
S 7.974205 1.875156 1.683958
O -8.957814 0.775140 1.958329
O -7.575012 3.115385 2.880053
O 7.819169 2.536725 3.164729
O 9.131413 0.795005 1.296918
N -2.500842 -1.475998 -0.571730
N 2.510163 -1.540253 -0.529322
N -2.522716 -0.350600 0.112634
N 2.550674 -0.478456 0.249121
N -2.452892 -3.719351 -2.052034
N 2.430540 -3.795752 -1.987432
N -8.478249 2.873465 0.233620
N 8.179380 3.265743 0.490561
C -6.256682 1.247839 1.204861
C 6.314149 1.134551 1.210562
C -1.227451 -1.981661 -0.884643
C 1.229515 -2.016956 -0.857485
C -1.235171 -3.203575 -1.684968
C 1.220256 -3.239515 -1.656814
C 0.005252 -1.421257 -0.491343
C -0.011626 -3.808525 -2.055888
C -3.829264 0.120835 0.442457
C 3.864778 0.006433 0.524556
C -5.081137 1.963348 1.485058
C 6.298581 0.124196 0.230746
C -6.276636 -0.011362 0.576043
C 5.165131 1.603715 1.868231
C -3.857268 1.383700 1.097329
C -5.048713 -0.577458 0.193229
C 5.059682 -0.443825 -0.112210
C 3.929208 1.030854 1.509981
H 0.011707 -0.506904 0.109012
H -0.018222 -4.725534 -2.655885
H -5.126150 2.922207 2.010519
H 7.234298 -0.212125 -0.227314
H -7.226194 -0.533260 0.419911
H 5.242060 2.371004 2.644662
H -2.904744 1.885949 1.291296
H -5.010726 -1.557545 -0.289451
H 4.994076 -1.227789 -0.871374
H 2.996339 1.353251 1.982244
H -3.282698 -3.213233 -1.737051
H -2.536242 -4.565388 -2.608645
H 2.502200 -4.648712 -2.535060
H 3.267116 -3.316378 -1.649053
H -9.444769 2.557532 0.046014
H -8.408783 3.891146 0.401093
H 8.149135 4.152896 1.020310
H 9.073444 3.119737 -0.007735


