%chk=000294068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294068

0 1
S -2.943901 -1.183084 -0.493037
O -5.590345 1.858994 -1.066631
O -5.082771 1.531354 1.118701
O -0.793723 2.751240 -0.645347
O 1.546347 -0.153537 1.477782
O -1.810766 -0.845931 2.098346
O -0.969270 -2.778392 2.580382
O 3.403182 -2.548695 -2.032811
O 3.426652 -3.084527 0.063949
N -2.347558 1.526195 0.494387
N 1.216601 2.076694 1.160907
N -1.155769 -1.840623 1.834021
N 2.875416 -2.672350 -0.939644
C -3.309214 1.534032 -0.618750
C -3.186482 0.295897 -1.515307
C -4.721806 1.625515 -0.024009
C -1.102833 2.135827 0.362913
C -1.228102 -1.542718 -0.661825
C -0.189987 1.997714 1.584903
C -0.521433 -1.904615 0.493348
C -0.595031 -1.561127 -1.907669
C 0.826791 -2.288606 0.421754
C 1.447396 -2.296131 -0.836388
C 0.747329 -1.930095 -1.999122
C 1.974134 0.910310 1.038912
C 3.319621 1.055692 0.410374
C 4.400421 0.383606 0.999888
C 3.502686 1.797379 -0.765527
C -6.998813 1.988021 -0.727064
C 5.668816 0.468890 0.419685
C 4.772840 1.875621 -1.341427
C 5.855150 1.214732 -0.748555
H -3.129449 2.457665 -1.255644
H -4.109047 0.151961 -2.121076
H -2.360221 0.436824 -2.241331
H -2.580085 0.920555 1.298341
H -0.370286 1.031865 2.133914
H -0.414791 2.815905 2.310347
H -1.142336 -1.298986 -2.815784
H 1.393068 -2.553535 1.330823
H 1.490727 2.944940 0.701817
H 1.263955 -1.941148 -2.968034
H 4.242713 -0.211666 1.902929
H 2.660358 2.300058 -1.242373
H -7.457259 2.205978 -1.697705
H -7.132291 2.810453 -0.016613
H -7.359247 1.045565 -0.302887
H 6.509488 -0.055652 0.874011
H 4.919839 2.447729 -2.256809
H 6.844387 1.275907 -1.202963


%chk=000294068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294068

0 1
S -3.115863 -1.267849 -0.931723
O -5.561050 1.454338 -1.013254
O -4.831998 1.877596 1.159747
O -1.041230 3.445384 -0.397749
O 1.426000 0.037600 1.441206
O -2.030864 -0.911928 2.009459
O -1.143179 -2.936431 2.529947
O 3.418976 -2.980468 -1.899063
O 3.310459 -3.264951 0.362649
N -2.153514 1.536701 0.353412
N 1.192700 2.329829 1.171925
N -1.339874 -1.963341 1.715572
N 2.785439 -2.953646 -0.774296
C -3.180199 1.595137 -0.679759
C -3.038738 0.468851 -1.728626
C -4.581117 1.651071 -0.039600
C -1.166350 2.493241 0.436287
C -1.326845 -1.672222 -0.823251
C -0.200245 2.336632 1.627305
C -0.681649 -2.047997 0.385359
C -0.567845 -1.744176 -2.020707
C 0.653480 -2.495587 0.414244
C 1.367301 -2.527866 -0.793679
C 0.776852 -2.149852 -2.019456
C 1.906738 1.151916 1.042046
C 3.275271 1.245357 0.421741
C 4.166752 0.162064 0.634948
C 3.688479 2.335101 -0.390680
C -6.965902 1.541798 -0.536557
C 5.454884 0.174157 0.061911
C 4.978950 2.346130 -0.962798
C 5.866635 1.268716 -0.734577
H -3.024239 2.558256 -1.214623
H -3.868055 0.498710 -2.450248
H -2.071452 0.553833 -2.247278
H -2.181928 0.755200 1.025040
H -0.378413 1.402462 2.183817
H -0.364124 3.192378 2.307080
H -1.061104 -1.511316 -2.969662
H 1.134009 -2.770449 1.354645
H 1.578324 3.207793 0.824346
H 1.364444 -2.197828 -2.939630
H 3.831256 -0.679813 1.249225
H 3.005496 3.162423 -0.620169
H -7.577031 1.373695 -1.433776
H -7.155456 2.537719 -0.103257
H -7.153642 0.769253 0.227097
H 6.131449 -0.669946 0.230737
H 5.287010 3.186602 -1.594131
H 6.866103 1.277418 -1.183095


