%chk=000198318.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198318

0 1
S -1.771335 0.486523 -1.762819
P -1.948535 0.115342 0.092049
O -3.434534 -0.354697 0.604134
O -1.686645 1.188639 1.284831
O -1.211842 -1.375260 0.591571
O 4.010822 -0.332656 -0.095284
N 0.490633 0.046943 0.149865
N 1.747085 0.368516 -0.026835
C -4.110382 -1.382552 -0.194143
C -1.198036 2.519621 0.910296
C 0.131915 -1.240447 0.450648
C -5.416460 -1.578173 0.552352
C -2.350799 3.387351 0.448057
C 1.058775 -2.302045 0.594542
C 2.697334 -0.613685 0.086570
C 2.385560 -1.973071 0.404402
C 4.358838 1.061220 -0.457625
C 5.862334 0.991970 -0.606676
H -4.270507 -1.004388 -1.222953
H -3.492196 -2.300155 -0.201165
H -0.790551 2.844595 1.890654
H -0.373516 2.454865 0.172859
H -6.041249 -2.341442 0.076676
H -5.233959 -1.879546 1.593785
H -5.989758 -0.641543 0.597493
H -2.117836 4.452025 0.571752
H -2.598766 3.236058 -0.612788
H -3.263061 3.183162 1.027690
H 0.719475 -3.307292 0.839866
H 3.191555 -2.702405 0.485440
H 4.022889 1.718204 0.362357
H 3.830186 1.312158 -1.393555
H 6.277374 1.970054 -0.880028
H 6.346564 0.667654 0.325145
H 6.157930 0.271660 -1.382762


%chk=000198318-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198318

0 1
S -2.277866 0.671952 -1.994472
P -2.268576 0.195597 0.010887
O -3.676304 -0.515568 0.683632
O -2.074976 1.389584 1.216946
O -1.179801 -1.183063 0.460410
O 4.197603 -0.421553 -0.121896
N 0.649217 0.231160 0.091998
N 1.999837 0.447633 -0.055637
C -4.303759 -1.659998 -0.046744
C -1.335726 2.658050 0.892698
C 0.186399 -1.025601 0.305841
C -5.618187 -1.941317 0.673457
C -2.313676 3.742777 0.444137
C 1.027866 -2.171693 0.394948
C 2.840767 -0.622067 0.022709
C 2.398059 -1.961266 0.250374
C 4.657181 0.980671 -0.366247
C 6.174507 0.914910 -0.498075
H -4.461433 -1.368658 -1.103239
H -3.614256 -2.523436 -0.003908
H -0.851314 2.903522 1.852309
H -0.555732 2.436019 0.143496
H -6.134639 -2.790200 0.188169
H -5.435995 -2.199228 1.730218
H -6.279315 -1.059304 0.636824
H -1.769600 4.698636 0.321148
H -2.778075 3.482303 -0.522296
H -3.108340 3.890295 1.195539
H 0.597515 -3.160150 0.568751
H 3.126576 -2.773634 0.301824
H 4.327850 1.608978 0.481190
H 4.163052 1.356080 -1.280574
H 6.575604 1.928696 -0.679263
H 6.634639 0.518598 0.423248
H 6.470199 0.268477 -1.342000


