%chk=000195280.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195280

0 1
S 3.897682 -0.617097 0.008389
O 5.056956 0.183039 0.345947
O 3.659709 -1.888063 0.661544
O -4.597838 1.604957 -0.137275
O -5.074631 -1.240833 -0.125799
N -2.377544 1.195140 -0.045961
N -2.836258 -1.566775 -0.033120
N 4.036633 -0.976644 -1.665028
C 0.077898 0.814813 0.050287
C 1.162809 -0.109226 0.076679
C -1.273067 0.308756 0.006321
C 2.494986 0.404080 0.082213
C -1.509177 -1.067500 0.013929
C 0.872562 -1.515389 0.108992
C 0.351559 2.215911 0.074828
C -0.411308 -1.981486 0.077033
C 2.724588 1.763350 0.114668
C 1.643562 2.681690 0.117379
C -3.721733 0.773499 -0.093613
C -3.973100 -0.743452 -0.086908
H 1.699663 -2.238671 0.196104
H -0.479808 2.925556 0.063939
H -0.614354 -3.054120 0.106194
H 3.749532 2.162967 0.142988
H -2.197523 2.204959 -0.050021
H 1.855323 3.751102 0.148860
H -2.976960 -2.581028 -0.023031
H 4.802217 -0.556992 -2.188442
H 3.917621 -1.941643 -1.965397


%chk=000195280-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195280

0 1
S 4.024026 -0.619675 0.039730
O 5.299114 0.378862 0.204225
O 3.862839 -1.929708 0.989982
O -4.703359 1.611604 -0.028615
O -5.153860 -1.254887 -0.125692
N -2.421854 1.169962 0.007312
N -2.842807 -1.526383 -0.084800
N 3.943628 -1.312817 -1.669869
C 0.048417 0.851382 0.046540
C 1.156020 -0.093454 0.031312
C -1.293946 0.330399 0.003472
C 2.466675 0.476462 0.061680
C -1.518119 -1.059446 -0.043716
C 0.889187 -1.502635 -0.008663
C 0.327433 2.256137 0.101235
C -0.419523 -1.968673 -0.046906
C 2.737426 1.837366 0.122556
C 1.635064 2.741420 0.143498
C -3.770505 0.769453 -0.033870
C -4.008185 -0.741150 -0.085386
H 1.720831 -2.209940 0.010820
H -0.488454 2.987240 0.117444
H -0.617402 -3.045981 -0.073713
H 3.773058 2.190446 0.164507
H -2.297302 2.185986 0.041773
H 1.821506 3.818148 0.192095
H -3.007864 -2.538349 -0.116989
H 4.387918 -0.655351 -2.332085
H 4.410041 -2.235516 -1.646180


