%chk=000228199.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228199

0 1
S 2.910685 -1.835856 0.008345
S -2.771843 -1.672210 1.242594
S 0.116252 -2.498468 0.939817
O 6.762310 -2.365843 -0.513627
O -6.564683 -2.075766 2.159071
O 4.657675 -2.818973 -0.174066
O -4.410718 -2.408135 2.150528
O 6.164194 3.957862 -0.878296
O -6.660042 2.623160 -2.129387
O 7.796719 2.539457 -1.012749
O -8.136321 1.566550 -0.946481
N 5.612300 -2.021208 -0.371565
N -5.452673 -1.816461 1.761986
N 6.623464 2.830641 -0.865009
N -6.995486 1.786042 -1.311804
N 0.637339 -0.236214 -0.153370
N -0.691153 -0.208135 0.111048
C 3.835875 -0.354160 -0.239181
C -3.859603 -0.568367 0.399388
C 5.214788 -0.624575 -0.415767
C -5.208426 -0.776052 0.777874
C 5.673380 1.714452 -0.649511
C -5.923315 0.960777 -0.708175
C 6.147925 0.404419 -0.623610
C -6.254121 -0.014759 0.230422
C 3.388364 0.971200 -0.271225
C -3.557538 0.419330 -0.544576
C 4.297968 2.001263 -0.474749
C -4.579804 1.180731 -1.096931
C 1.246216 -1.349717 0.214150
C -1.160992 -1.305721 0.676948
H 7.217504 0.177898 -0.760566
H -7.298574 -0.187401 0.536012
H 2.321144 1.215668 -0.148076
H -2.517954 0.614133 -0.853112
H 3.963664 3.048858 -0.504005
H -4.360519 1.962082 -1.839544


%chk=000228199-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228199

0 1
S 2.876557 -2.036033 -0.313558
S -2.741624 -1.561765 1.645726
S 0.109295 -2.574041 0.968998
O 7.295175 -2.061315 -0.628298
O -7.144962 -1.881495 1.989875
O 5.237395 -3.041856 -0.687874
O -5.009598 -2.255889 2.697063
O 5.984965 4.070432 -0.687640
O -6.463569 2.576920 -2.367973
O 7.805182 2.696269 -0.822860
O -8.142337 1.504284 -1.249324
N 6.011450 -2.001823 -0.630959
N -5.877723 -1.678033 1.924765
N 6.537720 2.905506 -0.719955
N -6.898117 1.725786 -1.501666
N 0.642850 -0.228979 -0.205523
N -0.692061 -0.128516 0.233667
C 3.938321 -0.530396 -0.448238
C -3.955716 -0.546016 0.692831
C 5.356022 -0.676232 -0.575542
C -5.356848 -0.722727 0.921978
C 5.644611 1.721537 -0.629739
C -5.887232 0.944674 -0.743122
C 6.211198 0.440838 -0.659380
C -6.323553 0.010572 0.205126
C 3.408288 0.786194 -0.440009
C -3.560701 0.423696 -0.265002
C 4.249533 1.907341 -0.523985
C -4.513733 1.162521 -0.984486
C 1.214744 -1.391610 0.101358
C -1.136563 -1.232057 0.831210
H 7.291501 0.296537 -0.746200
H -7.387340 -0.154862 0.395861
H 2.325704 0.927552 -0.383958
H -2.496535 0.610004 -0.431802
H 3.839649 2.920694 -0.516149
H -4.207947 1.908791 -1.722417


