%chk=000190328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190328

0 1
S 1.001894 -0.816436 2.021685
P 0.973719 -0.956364 0.139202
O 0.035150 0.138822 -0.691807
O 2.391075 -0.744866 -0.679581
O 0.458060 -2.344197 -0.547380
N -6.523753 0.744477 0.728278
C -1.310922 0.190266 -0.326848
C 3.092431 0.439249 -0.385905
C 0.951338 -3.601988 0.033209
C -2.192222 -0.812584 -0.755124
C -1.736012 1.330707 0.368184
C 2.702329 1.636140 -0.997608
C 4.228371 0.327682 0.422506
C -3.549189 -0.660556 -0.476567
C -3.096217 1.469908 0.639773
C -4.000571 0.477214 0.218530
C 0.126224 -4.646245 -0.691116
C 3.494982 2.765987 -0.781942
C 5.002321 1.474830 0.620211
C 4.638219 2.687033 0.022768
C -5.396208 0.625232 0.500984
H 2.030504 -3.685432 -0.198728
H 0.775441 -3.613951 1.126710
H -1.818541 -1.685808 -1.296548
H -1.011894 2.081805 0.685440
H 1.810474 1.677041 -1.624550
H 4.493983 -0.623747 0.878432
H -4.262302 -1.422272 -0.798043
H -3.459104 2.345948 1.181474
H 0.468471 -5.661214 -0.455377
H -0.937467 -4.575796 -0.426774
H 0.190024 -4.512365 -1.781669
H 3.219624 3.713492 -1.245170
H 5.892972 1.421746 1.246461
H 5.247299 3.574840 0.185591


%chk=000190328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190328

0 1
S 0.920156 -1.000430 2.277175
P 0.890656 -1.007004 0.227541
O -0.173150 0.123945 -0.589389
O 2.353815 -0.652814 -0.645140
O 0.436244 -2.458668 -0.578201
N -6.860293 0.979417 0.691687
C -1.547014 0.246673 -0.266496
C 3.168139 0.482450 -0.337231
C 1.133690 -3.729955 -0.189764
C -2.396840 -0.881164 -0.188084
C -2.045547 1.557773 -0.100510
C 2.780849 1.762042 -0.789916
C 4.387737 0.267173 0.336507
C -3.766994 -0.687859 0.064938
C -3.418596 1.746865 0.140526
C -4.290151 0.625274 0.229533
C 0.393238 -4.853645 -0.906216
C 3.645817 2.853671 -0.554445
C 5.244653 1.368679 0.559982
C 4.875767 2.660923 0.118699
C -5.693450 0.818754 0.482244
H 2.186953 -3.655203 -0.516159
H 1.091860 -3.834176 0.911422
H -1.985168 -1.883781 -0.338737
H -1.356669 2.404754 -0.160457
H 1.828715 1.884883 -1.315343
H 4.652078 -0.740023 0.672303
H -4.439469 -1.548631 0.129189
H -3.820322 2.756337 0.269639
H 0.879127 -5.820285 -0.678645
H -0.658304 -4.906729 -0.576913
H 0.414652 -4.701279 -1.998200
H 3.360711 3.852822 -0.901174
H 6.195722 1.216101 1.081264
H 5.541890 3.511710 0.297073


