%chk=000268996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268996

0 1
S -1.775689 -0.733483 1.487230
O -3.054751 -0.901629 -1.298287
O -4.947602 1.606038 0.837806
N 0.444763 -1.236720 0.063214
N 2.630826 -1.627493 0.673315
N 0.724096 1.108581 -0.807780
N 3.038259 1.896380 -0.644131
N 4.795098 0.574971 0.226739
C -1.615960 -0.698687 -1.192591
C -2.578016 0.395143 -0.793186
C -0.993504 -1.445926 -0.025494
C -2.757366 0.591502 0.690223
C -4.205192 0.424502 1.158997
C 1.154954 -0.065222 -0.240123
C 1.404278 -2.148564 0.635666
C 2.518123 -0.333165 0.137167
C 3.469718 0.708387 -0.084071
C 1.715316 2.028149 -0.970550
H -1.071758 -0.690480 -2.140906
H -2.792342 1.241041 -1.449191
H -1.227922 -2.542797 -0.063954
H -2.358376 1.590020 1.001898
H -4.284871 0.379311 2.264366
H -4.687973 -0.464526 0.709732
H 1.112524 -3.133005 0.975559
H -5.156551 1.631965 -0.118191
H 1.426569 2.995671 -1.417748
H 5.440058 1.334886 0.074206
H 5.134491 -0.271352 0.658386


%chk=000268996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268996

0 1
S -1.826734 -0.782875 1.637257
O -3.149240 -1.132667 -1.168669
O -4.837125 1.795357 0.344685
N 0.469513 -1.294859 0.077324
N 2.715224 -1.707073 0.355396
N 0.572756 1.158671 -0.380596
N 2.886580 1.999271 -0.349741
N 4.752342 0.613541 0.076444
C -1.659890 -0.921046 -1.117338
C -2.549068 0.232116 -0.822675
C -0.974146 -1.534954 0.101781
C -2.670903 0.620127 0.637638
C -4.135146 0.752062 1.109206
C 1.118464 -0.062083 -0.102575
C 1.482328 -2.235930 0.357276
C 2.500884 -0.344814 0.066443
C 3.399943 0.754027 -0.067953
C 1.532568 2.128365 -0.487276
H -1.138339 -1.019597 -2.076995
H -2.714707 1.007543 -1.577838
H -1.140728 -2.624254 0.148293
H -2.100026 1.547505 0.806211
H -4.171122 1.090574 2.157351
H -4.636819 -0.231106 1.024591
H 1.250403 -3.281500 0.551867
H -5.145786 1.413658 -0.514981
H 1.173606 3.138367 -0.706802
H 5.347276 1.433683 -0.022630
H 5.149090 -0.298609 0.292607


