%chk=000250726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250726

0 1
S 0.145276 2.641041 0.035045
O 3.114373 -1.309325 0.020874
N -0.734948 0.100145 -0.057491
N 1.650339 0.460710 0.023358
N -1.584062 -2.187177 0.015345
C -2.133084 0.694494 -0.052054
C -0.505894 -1.302909 -0.040181
C 0.376130 0.982836 0.002143
C -2.822414 0.408786 1.279435
C -2.929978 0.219246 -1.269066
C 0.778971 -1.799931 -0.029210
C 1.949085 -0.978877 0.006869
C 2.800659 1.404631 0.070938
H -2.030048 1.820613 -0.151271
H -2.244919 0.830382 2.117139
H -3.811878 0.883918 1.308957
H -2.964574 -0.652768 1.501415
H -3.763150 0.912022 -1.460988
H -3.376610 -0.774651 -1.152561
H -2.316860 0.216941 -2.181320
H 0.975542 -2.872103 -0.028355
H 2.762057 2.030583 0.980778
H 2.803395 2.070604 -0.810775
H 3.748006 0.829675 0.079985
H -2.514691 -1.883734 -0.252562
H -1.391421 -3.167250 -0.148646


%chk=000250726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250726

0 1
S 0.109056 2.710323 -0.071612
O 3.174761 -1.332947 0.063266
N -0.725542 0.067861 -0.016434
N 1.642947 0.470362 0.002858
N -1.554730 -2.186710 -0.003342
C -2.130770 0.625313 -0.019583
C -0.480634 -1.316218 0.002112
C 0.359455 0.998506 -0.025881
C -2.895214 0.326960 1.291264
C -2.896625 0.320033 -1.328438
C 0.818066 -1.814660 0.028115
C 1.963984 -0.957435 0.035739
C 2.796153 1.398593 -0.002197
H -1.948215 1.716068 -0.025280
H -2.287274 0.633308 2.160077
H -3.821776 0.928554 1.299438
H -3.183578 -0.728765 1.439153
H -3.808401 0.943263 -1.352117
H -3.214472 -0.730148 -1.459111
H -2.278238 0.594278 -2.200492
H 0.998839 -2.890629 0.040657
H 2.745758 2.067123 0.872999
H 2.773864 2.022860 -0.910678
H 3.702761 0.776541 0.027285
H -2.518405 -1.880286 -0.052473
H -1.362466 -3.184246 0.012476


