%chk=000231858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231858

0 1
S -0.725997 1.626862 -0.751603
S 2.213382 0.617487 -1.031202
O 0.106911 2.759956 -0.402634
O -1.574606 1.662498 -1.913330
O 2.792515 -0.706100 -0.983203
O 2.409836 1.453981 -2.179810
O -2.575703 -4.957007 -2.666142
O -1.204444 -5.777170 -1.209470
N 0.459418 0.351580 -0.923582
N -1.665543 -4.850709 -1.858386
C -0.038313 -0.964105 -1.200947
C -1.636621 1.115621 0.614937
C 2.591378 1.437076 0.428744
C -1.068147 -1.149600 -2.148653
C 0.474672 -2.074788 -0.495534
C -2.861430 0.461711 0.437141
C 2.999942 0.695014 1.547843
C -1.156159 1.367883 1.905646
C 2.542998 2.833921 0.495835
C -1.593126 -2.417274 -2.369754
C -0.047330 -3.343380 -0.719789
C -1.094332 -3.511678 -1.642824
C -3.601210 0.050628 1.549214
C 3.339882 1.345418 2.732495
C -1.895490 0.958082 3.017825
C 2.886439 3.487462 1.687251
C -3.116958 0.297814 2.838471
C 3.282453 2.745877 2.800600
H -1.442225 -0.303448 -2.744512
H 1.312227 -1.953573 0.196964
H -3.246349 0.275965 -0.572838
H 3.065583 -0.397148 1.487152
H -0.204816 1.893248 2.047158
H 2.224333 3.423632 -0.377978
H -2.388274 -2.573047 -3.108743
H 0.346467 -4.214302 -0.182556
H -4.554325 -0.460351 1.411135
H 3.660236 0.771009 3.600193
H -1.523682 1.154357 4.022931
H 2.841879 4.575324 1.736142
H -3.694434 -0.023628 3.707469
H 3.553365 3.254003 3.727646


%chk=000231858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231858

0 1
S -0.973300 1.483743 -0.385478
S 2.157629 0.557531 -0.952450
O -0.172341 2.837284 0.017907
O -1.788774 1.339622 -1.787692
O 2.945509 -0.862123 -1.045202
O 1.935007 1.466135 -2.282220
O -1.632620 -4.892303 -3.834468
O -1.703693 -5.853187 -1.766151
N 0.368626 -0.026481 -0.118047
N -1.470083 -4.857322 -2.554924
C -0.084723 -1.205395 -0.801800
C -2.141810 1.015165 1.017982
C 2.946562 1.580021 0.420450
C -0.282587 -1.282846 -2.213286
C -0.345092 -2.337110 0.022101
C -3.300224 0.294274 0.686563
C 3.702969 0.881738 1.376045
C -1.810732 1.435030 2.316551
C 2.793706 2.974398 0.383212
C -0.731485 -2.483310 -2.788849
C -0.799335 -3.537972 -0.548373
C -0.987481 -3.589478 -1.947689
C -4.183704 -0.032201 1.741855
C 4.350231 1.648733 2.372104
C -2.709945 1.098377 3.354383
C 3.456161 3.717637 1.387343
C -3.886506 0.365122 3.066883
C 4.224259 3.058514 2.376435
H -0.079201 -0.411010 -2.842003
H -0.173320 -2.251019 1.098848
H -3.510759 0.021156 -0.352373
H 3.801024 -0.207041 1.326517
H -0.900842 2.013676 2.503629
H 2.188332 3.455596 -0.389180
H -0.888044 -2.578591 -3.866155
H -1.001996 -4.425219 0.056488
H -5.099888 -0.590764 1.525443
H 4.953973 1.145167 3.133876
H -2.492135 1.410296 4.380860
H 3.366110 4.808449 1.393877
H -4.577451 0.109295 3.877189
H 4.732376 3.645517 3.149101


