%chk=000224682.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224682

0 1
S 2.658384 1.920114 0.054309
S -5.905494 -0.212347 -1.234713
O 2.667183 3.115482 0.883271
O 3.243708 1.970398 -1.258360
O -2.822297 -1.644100 -1.870429
O -5.308544 0.676401 1.198050
N 3.624217 0.872475 1.075194
N -2.830844 -0.311797 0.023672
N 3.179843 -1.019366 -0.244613
N -6.857671 1.916407 0.046619
C 1.086423 1.257809 0.025150
C 0.699402 0.384936 -1.000996
C 0.165887 1.604228 1.026976
C -1.502447 0.196705 -0.021667
C -0.588327 -0.147945 -1.031885
C -1.121815 1.085421 1.015382
C 3.880694 -0.475390 0.808322
C -3.414389 -1.188685 -0.916451
C 4.789739 -1.235114 1.591031
C -4.857433 -1.537239 -0.612094
C 4.975187 -2.574005 1.263858
C 3.390045 -2.328861 -0.533857
C 4.273835 -3.139870 0.190435
C -5.981617 0.874250 0.207381
H 1.415172 0.116655 -1.791162
H 0.462168 2.299909 1.822297
H -0.879893 -0.829686 -1.838617
H -1.827600 1.363338 1.795582
H 4.139399 1.293221 1.859873
H -3.426987 0.041295 0.798707
H 5.327450 -0.780941 2.415814
H -5.038099 -1.740780 0.466424
H -5.135993 -2.474571 -1.149779
H 5.669078 -3.184995 1.843003
H 2.816393 -2.722253 -1.382611
H 4.413035 -4.181843 -0.077033
H -6.966230 2.604858 0.781517
H -7.409064 2.058885 -0.785703


%chk=000224682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224682

0 1
S 2.594085 1.710815 0.263810
S -6.282128 0.032158 -1.367635
O 2.560247 3.027752 1.224902
O 3.259195 1.779520 -1.210719
O -3.120062 -1.904589 -1.787727
O -5.372936 1.032970 1.050185
N 3.521752 0.531255 1.388208
N -3.125145 -0.288846 -0.064171
N 3.484205 -1.262488 -0.139925
N -7.041960 2.255112 -0.016402
C 0.852618 1.023462 0.161476
C 0.555762 0.038905 -0.792357
C -0.101985 1.582502 1.027896
C -1.770357 0.119000 -0.027581
C -0.772727 -0.420651 -0.889544
C -1.425747 1.119938 0.926203
C 4.104940 -0.649479 0.912922
C -3.720178 -1.220089 -0.907221
C 5.257196 -1.196530 1.552669
C -5.226218 -1.384195 -0.664271
C 5.750765 -2.431326 1.092691
C 3.996871 -2.445252 -0.580270
C 5.116730 -3.076919 0.002594
C -6.173764 1.200259 0.084038
H 1.350223 -0.368769 -1.423112
H 0.184192 2.363768 1.738524
H -1.049075 -1.186996 -1.615245
H -2.198888 1.534790 1.583032
H 4.019096 1.097732 2.088707
H -3.781184 0.203781 0.571223
H 5.739396 -0.668533 2.381843
H -5.472307 -1.455751 0.408334
H -5.574041 -2.278076 -1.200873
H 6.629199 -2.878049 1.570497
H 3.479281 -2.896140 -1.434580
H 5.481276 -4.030577 -0.388589
H -7.014125 2.977314 0.703705
H -7.711705 2.335219 -0.780339


