%chk=000297959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297959

0 1
S 2.428213 2.428326 0.570096
S -0.760552 -0.329622 -1.068533
O 1.967533 2.435606 1.938565
O 3.393529 3.381697 0.071270
O 0.140138 -0.656734 0.025790
O -0.466438 -0.784642 -2.411237
O 2.770212 -3.827399 0.700344
O -5.613784 -1.773549 2.640889
O 1.909445 -2.584150 2.247278
O -3.703584 -0.961021 3.260961
N 1.009246 2.658775 -0.367843
N -0.871131 1.396923 -1.120917
N 2.526393 -2.744573 1.210519
N -4.493676 -1.347469 2.419615
C -0.321762 2.151561 0.055020
C 1.035226 2.747753 -1.852138
C -0.270038 2.051727 -2.328087
C 3.018246 0.843653 0.179281
C -2.366948 -0.817381 -0.643600
C 2.522749 -0.279482 0.845447
C -2.750994 -0.890136 0.695442
C 4.026280 0.705627 -0.783129
C -3.270537 -1.153677 -1.660533
C 3.043319 -1.544670 0.519254
C -4.062051 -1.285224 1.003040
C 4.526934 -0.557834 -1.111847
C -4.572375 -1.556124 -1.342937
C 4.031102 -1.693104 -0.467838
C -4.977044 -1.623328 -0.009357
H -0.267504 1.542706 0.987242
H -1.001124 3.025325 0.235405
H 1.938188 2.270265 -2.281864
H 1.052161 3.819700 -2.150832
H -1.002482 2.800479 -2.703063
H -0.085872 1.330609 -3.153562
H 1.738657 -0.199365 1.617865
H -2.047724 -0.656327 1.511662
H 4.436722 1.596922 -1.277211
H -2.954699 -1.112586 -2.712299
H 5.305715 -0.658287 -1.868385
H -5.271660 -1.821188 -2.138603
H 4.402407 -2.694233 -0.719159
H -5.994239 -1.936852 0.260689


%chk=000297959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297959

0 1
S 2.730958 2.502930 0.381287
S -0.705394 -0.142096 -0.403346
O 2.483548 2.530344 1.985953
O 3.770008 3.469851 -0.401808
O -0.058408 -0.392632 1.072866
O 0.015939 -0.693642 -1.766404
O 3.379405 -3.922645 0.934684
O -6.538278 -1.700905 1.906181
O 2.554651 -2.472844 2.491969
O -4.862663 -0.595065 2.992811
N 1.052080 2.983005 -0.346582
N -1.045107 1.796258 -0.519838
N 3.077795 -2.736629 1.346369
N -5.358924 -1.184113 1.960802
C -0.145130 2.522806 0.421000
C 0.867982 2.650161 -1.799600
C -0.640986 2.282117 -1.885565
C 3.238055 0.724212 -0.089399
C -2.463233 -0.825616 -0.398641
C 2.933745 -0.307956 0.806998
C -3.212346 -0.721881 0.779770
C 3.947467 0.544468 -1.290420
C -2.920698 -1.443328 -1.573945
C 3.360618 -1.597518 0.428994
C -4.509881 -1.272341 0.737144
C 4.345379 -0.768216 -1.634740
C -4.227085 -1.986525 -1.570202
C 4.046752 -1.848968 -0.778789
C -5.031954 -1.900303 -0.414985
H 0.121239 1.915515 1.308860
H -0.713437 3.407998 0.763488
H 1.484466 1.782537 -2.111963
H 1.122998 3.520259 -2.423902
H -1.261997 3.174363 -2.083461
H -0.848304 1.519918 -2.653588
H 2.408086 -0.139868 1.750390
H -2.827518 -0.262294 1.694893
H 4.209039 1.408403 -1.910162
H -2.265425 -1.513537 -2.448348
H 4.895638 -0.942981 -2.563990
H -4.611881 -2.479384 -2.467719
H 4.343229 -2.873311 -1.018976
H -6.044232 -2.311848 -0.385386


