%chk=000255164.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255164

0 1
S -3.045566 0.732780 -2.028758
O -0.220015 0.302759 -2.253284
N 5.291000 -0.692497 -1.035342
N -0.378155 -4.794446 1.222875
N 0.733709 4.363994 2.092763
C 0.498703 -0.098762 0.006198
C 1.873984 -0.203921 -0.695821
C 0.177376 -1.404126 0.768914
C 0.454892 1.088748 0.996032
C -0.564580 0.148865 -1.097764
C 3.052856 -0.381515 0.269334
C -0.030091 -2.610062 -0.159709
C 0.689797 2.449308 0.321588
C -1.982860 0.229260 -0.752752
C -2.700833 -0.019484 0.390265
C 4.298862 -0.554488 -0.460031
C -0.223261 -3.827341 0.610253
C 0.714190 3.516047 1.308404
C -4.107637 0.207919 0.230282
C -4.445312 0.624675 -1.029874
H 2.035172 0.694371 -1.332119
H 1.849161 -1.044853 -1.423321
H 1.000617 -1.621859 1.482710
H -0.726783 -1.267319 1.401739
H -0.522271 1.109687 1.522794
H 1.211199 0.932485 1.793120
H 3.140743 0.498631 0.950357
H 2.885802 -1.263321 0.934628
H -0.911120 -2.448623 -0.828572
H 0.843580 -2.732745 -0.846565
H -0.105674 2.658836 -0.435209
H 1.647656 2.446810 -0.253937
H -2.275555 -0.365508 1.327299
H -4.811067 0.057726 1.039697
H -5.430219 0.863570 -1.401892


%chk=000255164-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255164

0 1
S -3.140783 0.524616 -2.190788
O -0.239383 0.218588 -2.324373
N 5.360515 -0.550842 -1.198466
N -0.483896 -4.867618 1.306949
N 0.551692 4.382273 2.256683
C 0.492864 -0.112125 -0.002226
C 1.868531 -0.194678 -0.739625
C 0.186267 -1.437885 0.774279
C 0.476403 1.065036 1.032367
C -0.594657 0.129222 -1.105476
C 3.083901 -0.475132 0.187811
C 0.125730 -2.704687 -0.126677
C 0.693373 2.471591 0.403363
C -2.025853 0.256070 -0.771796
C -2.763415 0.218867 0.421045
C 4.344726 -0.518528 -0.573849
C -0.208816 -3.906530 0.655724
C 0.616538 3.533752 1.420464
C -4.173526 0.395269 0.244490
C -4.535286 0.569632 -1.087591
H 2.042124 0.740530 -1.298231
H 1.819392 -0.970735 -1.522140
H 0.953955 -1.584756 1.557104
H -0.775601 -1.349512 1.306294
H -0.483791 1.077083 1.575068
H 1.254919 0.886289 1.797764
H 3.185377 0.302900 0.968505
H 2.971871 -1.442056 0.714619
H -0.635523 -2.577670 -0.920030
H 1.091611 -2.878389 -0.636299
H -0.071850 2.670442 -0.371222
H 1.677692 2.538324 -0.096001
H -2.323419 0.070500 1.408504
H -4.891354 0.393269 1.067374
H -5.532028 0.722494 -1.499315


