%chk=000253870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253870

0 1
S 0.503682 -1.899250 0.001332
O -5.309750 -2.157108 -0.007476
O -5.513927 2.460604 -0.014613
N -3.407588 1.535122 -0.009920
N -2.230027 -1.850864 -0.003084
N -5.416722 0.146198 -0.010990
N -1.259408 0.232630 -0.004624
C 5.533521 -0.561041 0.006516
C 4.115788 0.025727 0.004747
C 6.595888 0.546546 0.007708
C 3.053594 -1.086068 0.003905
C 8.014334 -0.038763 0.009467
C 1.655994 -0.484267 0.000974
C 9.078681 1.067716 0.011037
C -3.273907 -0.905190 -0.006162
C -2.646152 0.371921 -0.007010
C -1.051425 -1.125418 -0.002271
C 10.492516 0.490830 0.013012
C -4.703101 -1.105841 -0.008186
C -4.838240 1.449633 -0.011959
C -2.748943 2.863555 -0.010799
C -6.905903 0.108584 -0.012995
H 5.671772 -1.214338 0.889951
H 5.673908 -1.214490 -0.876457
H 3.980070 0.679034 -0.879352
H 3.978065 0.679546 0.888158
H 6.458215 1.200477 0.890573
H 6.460353 1.200334 -0.875573
H 3.204618 -1.738339 -0.881766
H 3.201649 -1.736759 0.891235
H 8.155384 -0.692245 -0.872870
H 8.153094 -0.692529 0.891973
H 1.469880 0.155486 0.886808
H 1.472508 0.152897 -0.887272
H 8.941070 1.721469 0.894551
H 8.943571 1.721592 -0.872762
H -2.367373 -2.848336 -0.001821
H 11.245075 1.287395 0.012966
H 10.674049 -0.131156 0.896909
H 10.675834 -0.132905 -0.869284
H -2.114794 2.976126 0.886482
H -3.511918 3.666205 -0.013593
H -2.111295 2.973201 -0.905963
H -7.256101 -0.941229 -0.014543
H -7.304695 0.617197 0.881736
H -7.302340 0.619113 -0.907695


%chk=000253870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253870

0 1
S 0.399417 -2.207734 0.000457
O -5.491715 -2.098606 -0.003912
O -5.356880 2.626238 -0.014893
N -3.301696 1.489998 -0.010872
N -2.383176 -1.942171 -0.002156
N -5.398647 0.282086 -0.009495
N -1.280500 0.053913 -0.005949
C 5.530519 -0.594224 0.004596
C 4.065901 -0.099965 0.003012
C 6.559349 0.559199 0.007604
C 3.044531 -1.263641 0.001845
C 8.024844 0.068860 0.009163
C 1.601927 -0.733965 -0.000261
C 9.054649 1.222152 0.013381
C -3.367733 -0.940661 -0.005208
C -2.655388 0.265191 -0.007500
C -1.152617 -1.302679 -0.002728
C 10.516036 0.723580 0.015207
C -4.799093 -1.033354 -0.005980
C -4.720773 1.533104 -0.012003
C -2.534516 2.749465 -0.013296
C -6.877662 0.361025 -0.010579
H 5.699923 -1.238200 0.892636
H 5.702615 -1.236130 -0.884413
H 3.896578 0.541855 -0.886117
H 3.894611 0.541611 0.891940
H 6.387488 1.201764 0.896589
H 6.390152 1.204191 -0.880138
H 3.215391 -1.900469 -0.888608
H 3.212966 -1.899937 0.893151
H 8.199322 -0.572739 -0.880090
H 8.196151 -0.576336 0.896439
H 1.373367 -0.133358 0.894233
H 1.375116 -0.135548 -0.896659
H 8.879475 1.862711 0.901903
H 8.882912 1.866242 -0.873263
H -2.568567 -2.945051 0.000082
H 11.232230 1.565902 0.017862
H 10.721071 0.101882 0.907545
H 10.724278 0.104789 -0.878409
H -1.894874 2.806088 0.883487
H -3.258074 3.577542 -0.016148
H -1.893024 2.801458 -0.909032
H -7.259573 -0.670497 -0.009713
H -7.229073 0.904579 0.881649
H -7.227735 0.902841 -0.904357


