%chk=000233188.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233188

0 1
S -4.854313 0.518452 -2.696618
S 5.692971 0.267994 1.361764
O -5.193876 2.171071 -2.812419
O -3.776271 0.321753 -3.637483
O -6.116730 -0.140000 -2.908660
O 6.150305 -0.531337 2.482473
O 6.211577 1.593059 1.167679
N -2.679260 0.358212 2.805811
N -0.927901 0.308186 0.323973
N 6.234175 -0.758711 0.045279
N -0.244728 0.244303 1.377145
N 5.107707 0.512061 -1.590672
N 6.291804 -1.038769 -3.643683
C -5.178131 0.426031 0.037752
C -4.633867 0.413784 1.351281
C -4.288402 0.426074 -1.091650
C -3.189036 0.374203 1.540165
C -2.338440 0.351156 0.392052
C -2.924904 0.384863 -0.903432
C -6.597369 0.434431 -0.110911
C -5.521345 0.436817 2.468480
C -7.426907 0.453873 0.986091
C -6.885148 0.460652 2.297377
C 3.980418 0.250931 1.302297
C 1.194819 0.232060 1.247942
C 3.288954 1.270722 0.638007
C 3.274576 -0.780497 1.939570
C 1.892524 1.266856 0.605213
C 1.882953 -0.799551 1.918163
C 5.978864 -0.509853 -1.301673
C 6.568649 -1.289255 -2.352806
C 4.845354 0.747839 -2.901858
C 5.433489 -0.021094 -3.925149
H -2.238189 0.374572 -1.772081
H -7.046617 0.405088 -1.115478
H -5.112095 0.435505 3.480156
H -8.511568 0.461309 0.858717
H -7.558452 0.481001 3.152772
H -1.677918 0.327791 2.986501
H -3.280815 0.379765 3.616245
H 3.843755 2.075647 0.135672
H 3.819710 -1.572664 2.467719
H 1.351066 2.053374 0.079914
H 1.330010 -1.598754 2.409887
H 6.885614 -1.527551 0.256106
H -5.201103 2.543484 -3.704185
H 7.261560 -2.107521 -2.138349
H 4.151127 1.568387 -3.117782
H 5.226002 0.166449 -4.982314


%chk=000233188-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000233188

0 1
S -5.249267 1.803354 -2.509871
S 5.666406 0.874910 1.081176
O -5.947105 3.342582 -1.725877
O -4.045731 2.207932 -3.511126
O -6.503134 0.950948 -3.084586
O 6.198280 0.598498 2.594629
O 6.083803 2.213583 0.274821
N -2.561283 -0.403921 2.449408
N -1.077195 0.758343 0.223749
N 6.317723 -0.672554 0.232513
N -0.380341 0.301643 1.255856
N 5.398910 -0.143069 -1.876461
N 7.192763 -1.973265 -3.116105
C -5.364984 0.546551 0.099019
C -4.697171 0.027361 1.273398
C -4.527112 1.093687 -0.941127
C -3.239991 0.073063 1.369043
C -2.469454 0.640594 0.283695
C -3.151794 1.155047 -0.862901
C -6.790656 0.491969 0.027787
C -5.491807 -0.519133 2.326949
C -7.537115 -0.050509 1.080202
C -6.887244 -0.560077 2.239189
C 3.796303 0.675509 1.065344
C 1.033882 0.458824 1.130945
C 3.068808 1.192908 -0.021420
C 3.214506 0.063219 2.187153
C 1.668164 1.082595 0.017187
C 1.809905 -0.043944 2.210292
C 6.322600 -0.841016 -1.145304
C 7.227762 -1.757796 -1.779703
C 5.385092 -0.363911 -3.221439
C 6.268264 -1.272105 -3.845582
H -2.550758 1.585088 -1.670372
H -7.298281 0.866285 -0.864752
H -5.018201 -0.918725 3.230961
H -8.629100 -0.084309 1.009352
H -7.477407 -0.982852 3.058305
H -1.512307 -0.305562 2.378454
H -3.039059 -0.814920 3.249151
H 3.593128 1.651011 -0.864233
H 3.838145 -0.293448 3.012494
H 1.047922 1.466989 -0.796370
H 1.301128 -0.511419 3.059100
H 7.059817 -1.079693 0.815483
H -6.430618 3.847315 -2.443469
H 7.971246 -2.318926 -1.203063
H 4.650677 0.204007 -3.801414
H 6.256481 -1.440459 -4.925480


