%chk=000236664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236664

0 1
S 3.119906 -1.630751 0.854315
O -2.158809 -1.820332 0.363574
O -3.094376 0.800270 -0.505465
N 1.440464 2.387387 -0.389923
N 2.682193 2.228793 -0.208406
C 0.993295 0.029435 0.155403
C 0.532074 1.327356 -0.223454
C 0.046927 -1.021611 0.316688
C -1.293296 -0.773120 0.109584
C -1.752717 0.547699 -0.248522
C -0.859345 1.578222 -0.417341
C 2.403449 -0.109644 0.334292
C 3.219601 0.983076 0.156353
C -3.063355 -2.156838 -0.726304
C -3.926172 0.777635 0.690103
C 3.092814 -2.606341 -0.667246
H 0.372899 -2.019542 0.620690
H -1.194332 2.582319 -0.691992
H 4.307589 0.962935 0.280692
H -2.487851 -2.632901 -1.525009
H -3.596234 -1.271244 -1.092272
H -3.743564 -2.868563 -0.244961
H -3.836937 -0.186751 1.201849
H -4.928856 0.925426 0.273583
H -3.643243 1.606679 1.344906
H 3.479673 -3.606334 -0.426150
H 3.733371 -2.169667 -1.442242
H 2.080933 -2.717291 -1.072444


%chk=000236664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236664

0 1
S 3.197238 -1.681486 0.926673
O -2.219439 -1.791346 0.374752
O -3.124580 0.843322 -0.472902
N 1.429994 2.429888 -0.475377
N 2.751074 2.268659 -0.251911
C 1.011965 0.041463 0.181805
C 0.566031 1.349436 -0.265145
C 0.045162 -0.988806 0.380947
C -1.308342 -0.746944 0.142390
C -1.757233 0.573672 -0.260270
C -0.828072 1.587165 -0.475681
C 2.426017 -0.099518 0.372106
C 3.231704 1.023497 0.157239
C -3.048555 -2.198714 -0.789037
C -3.965820 0.784677 0.750145
C 3.080308 -2.662444 -0.693218
H 0.356056 -1.977857 0.731271
H -1.154478 2.584112 -0.783778
H 4.315155 0.983092 0.295905
H -2.402476 -2.653694 -1.562616
H -3.594019 -1.336490 -1.209512
H -3.747916 -2.950237 -0.394210
H -3.890964 -0.204971 1.235521
H -4.993345 0.970391 0.404216
H -3.655476 1.577467 1.455592
H 3.496693 -3.657557 -0.472318
H 3.678373 -2.165392 -1.470915
H 2.031048 -2.755083 -1.011373


