%chk=000224562.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224562

0 1
S 2.703505 1.241351 0.258530
O -2.523949 1.697266 -0.605457
O -3.740969 -0.762770 0.429886
N 2.714182 -1.280578 -0.310117
N 4.009702 -0.928416 -0.336737
N 5.455871 0.979398 0.112083
C 0.411396 -0.391450 0.060580
C -1.781085 0.601356 -0.181716
C -0.391363 0.708783 -0.284969
C -2.375925 -0.608614 0.245213
C -0.181696 -1.586297 0.512065
C -1.569091 -1.697266 0.600008
C 1.858293 -0.308913 -0.036416
C 4.231029 0.373596 -0.056164
C -3.313503 2.312555 0.451178
C -4.533823 -0.581877 -0.777520
H 0.035298 1.645420 -0.645575
H 0.452050 -2.436224 0.779610
H -2.039961 -2.620718 0.938608
H -2.642139 2.781522 1.175464
H -3.963075 1.571929 0.931366
H -3.891763 3.061868 -0.099885
H -4.346533 -1.420768 -1.453700
H -4.303981 0.375717 -1.258665
H -5.556526 -0.605120 -0.386396
H 6.270806 0.441532 -0.172788
H 5.526850 1.967619 -0.087785


%chk=000224562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224562

0 1
S 2.760162 1.317311 -0.450181
O -2.587142 1.763716 -0.474200
O -3.801605 -0.800361 0.283764
N 2.736776 -1.214724 0.432678
N 4.089650 -0.898396 0.307694
N 5.534117 0.892687 -0.327952
C 0.430154 -0.344001 0.151027
C -1.809557 0.632647 -0.127474
C -0.408118 0.753581 -0.177752
C -2.404475 -0.615002 0.223211
C -0.171062 -1.573289 0.551063
C -1.570369 -1.699459 0.581169
C 1.889279 -0.244425 0.103244
C 4.286926 0.355938 -0.130382
C -3.413430 2.299365 0.634234
C -4.522847 -0.590074 -0.995444
H 0.006905 1.726037 -0.465460
H 0.476194 -2.413716 0.817010
H -2.047827 -2.641944 0.867048
H -2.761778 2.661506 1.451763
H -4.105789 1.529877 1.021513
H -3.974398 3.141051 0.200569
H -4.205828 -1.349948 -1.734177
H -4.335469 0.422109 -1.395313
H -5.587945 -0.723153 -0.753194
H 6.340403 0.303649 -0.128348
H 5.670672 1.839919 -0.665406


