%chk=000227581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227581

0 1
S 0.176890 -2.726143 1.728728
S -4.343733 0.576787 -1.458157
O -0.800083 -1.859781 2.372637
O 0.826294 -3.758066 2.499651
O -5.467671 0.744596 -0.573545
O -4.349323 1.146233 -2.790184
O -1.700673 -2.163816 -1.640649
O 5.352938 1.409331 0.664641
O 1.931711 3.000248 -0.319802
N -0.771985 -3.565442 0.516322
N -4.219685 -1.155894 -1.802129
N -2.144919 -3.244648 0.422022
N -3.782107 -1.861195 -0.657640
N 4.047881 0.741940 -1.113056
N 0.685995 2.013252 1.353887
C 1.320837 -1.806030 0.862300
C -2.886117 1.005338 -0.659166
C 1.085635 -1.375850 -0.452074
C -2.693022 0.667990 0.688510
C 2.516367 -1.438846 1.503454
C -1.881808 1.697075 -1.348512
C 3.168949 -0.136605 -0.426967
C -0.495027 1.684169 0.631372
C 1.997399 -0.550242 -1.100292
C -1.501548 0.977711 1.331875
C 3.433755 -0.604452 0.878753
C -0.690773 2.043981 -0.715767
C -2.448763 -2.411526 -0.713997
C 5.100766 1.494966 -0.520611
C 1.830893 2.685837 0.850401
C 5.831324 2.376811 -1.484052
C 2.887782 2.945044 1.877636
H 0.175180 -1.686114 -0.995458
H -3.483361 0.150111 1.244927
H 2.737306 -1.812686 2.510498
H -2.033621 1.974438 -2.400213
H 1.786414 -0.214547 -2.115204
H -1.347895 0.643899 2.360633
H 4.360172 -0.320244 1.389676
H 0.084325 2.594190 -1.259246
H -0.655781 -4.589307 0.392075
H -3.726621 -1.424923 -2.679408
H -2.556038 -2.916866 1.325817
H -4.537328 -2.493470 -0.329782
H 3.794033 0.956556 -2.084589
H 0.698204 1.715136 2.335748
H 6.215549 1.838411 -2.361704
H 6.701898 2.842056 -0.988649
H 5.198265 3.202988 -1.847329
H 2.529311 3.032054 2.909115
H 3.426882 3.878938 1.644435
H 3.660027 2.146708 1.860070


%chk=000227581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227581

0 1
S -0.095117 -2.994915 1.532860
S -4.430452 0.318910 -0.964255
O -1.435844 -2.059793 1.747461
O 0.546077 -3.831572 2.787813
O -5.193985 -0.206632 0.384235
O -5.092665 1.347190 -2.042084
O -1.622329 -2.336539 -1.796909
O 6.090646 0.195265 0.393834
O 2.053406 3.101250 -0.812425
N -0.909205 -4.337067 -0.003787
N -4.285469 -1.546931 -2.014557
N -2.219266 -3.930450 -0.147517
N -3.849765 -2.533252 -1.150327
N 4.077748 0.827614 -0.638972
N 0.719127 2.850691 1.102842
C 1.249280 -1.927822 0.785612
C -2.803783 1.081441 -0.367138
C 0.897023 -1.054551 -0.257215
C -2.428997 0.852585 0.967247
C 2.543063 -2.000242 1.329838
C -2.046664 1.864518 -1.257264
C 3.185946 -0.165082 -0.160018
C -0.454879 2.251666 0.557833
C 1.877925 -0.167498 -0.724401
C -1.247133 1.459803 1.429683
C 3.527392 -1.109767 0.850302
C -0.852241 2.452704 -0.792139
C -2.482596 -2.885018 -1.060583
C 5.441568 0.977339 -0.361429
C 1.881181 3.238921 0.441501
C 6.095898 2.159727 -1.070741
C 2.966343 3.815777 1.342173
H -0.102561 -1.065045 -0.700474
H -3.041915 0.228560 1.622647
H 2.768037 -2.714787 2.128250
H -2.395023 2.043071 -2.279670
H 1.627693 0.542512 -1.518903
H -0.925126 1.282255 2.461936
H 4.543663 -1.126827 1.247597
H -0.237370 3.062297 -1.456511
H -0.905675 -5.202213 0.586489
H -3.489425 -1.364945 -2.676431
H -2.936290 -4.143036 0.560611
H -4.573052 -2.883522 -0.517180
H 3.635577 1.567603 -1.199722
H 0.741226 2.917837 2.123232
H 6.636694 1.794285 -1.962813
H 6.841115 2.613296 -0.397994
H 5.372670 2.928922 -1.393220
H 2.620615 4.046504 2.364117
H 3.359405 4.738561 0.884277
H 3.802612 3.096502 1.409287


