%chk=000198845.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198845

0 1
S -5.283704 0.048597 -0.304727
O -5.876606 1.371286 -0.224858
O -5.573044 -0.800690 -1.449910
N 2.874543 0.133899 0.430092
N 2.404048 -2.713440 -0.467501
N 1.281073 1.779474 0.247869
N 3.668561 2.472476 0.437762
C 1.629678 -0.516698 0.336180
C 0.678836 0.513373 0.215205
C 1.459165 -1.991232 0.452463
C -0.777550 0.405391 0.073782
C 2.612024 1.577659 0.369762
C -1.613121 1.327857 0.728149
C -1.342626 -0.605383 -0.723714
C -3.559065 0.190835 -0.157243
C 4.177402 -0.355186 0.520066
C -2.999222 1.221635 0.602851
C -2.730418 -0.705267 -0.837390
C 2.062537 -2.458955 -1.898105
C 2.374880 -4.178772 -0.178796
C 5.190523 0.565086 0.583326
C 4.891401 1.975473 0.542772
C -5.754489 -0.832840 1.142707
H 1.698445 -2.300334 1.500385
H 0.389254 -2.260604 0.288824
H -1.168832 2.140093 1.309768
H -0.700218 -1.290214 -1.274979
H 4.320684 -1.445146 0.520598
H -3.644590 1.959729 1.091621
H -3.170451 -1.481484 -1.475146
H 2.073056 -1.372711 -2.091619
H 1.088791 -2.854624 -2.221279
H 2.843766 -2.907496 -2.533610
H 3.105334 -4.684033 -0.832899
H 1.397800 -4.662674 -0.325065
H 2.698242 -4.353986 0.859514
H 6.228838 0.248132 0.657391
H 5.717189 2.700605 0.596735
H -6.430900 -0.247104 1.783096
H -6.304906 -1.755115 0.903736
H -4.920125 -1.137212 1.781987


%chk=000198845-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000198845

0 1
S -5.426144 0.079205 -0.355304
O -6.004762 1.609960 -0.390528
O -5.735601 -1.008095 -1.540958
N 2.902435 0.127929 0.446829
N 2.492818 -2.758115 -0.594998
N 1.254538 1.725852 0.368690
N 3.567780 2.488440 0.627831
C 1.698401 -0.567657 0.306502
C 0.702331 0.444852 0.245441
C 1.661766 -2.065942 0.431410
C -0.760924 0.316140 0.088510
C 2.588264 1.550466 0.487668
C -1.582334 1.383374 0.552379
C -1.372980 -0.801231 -0.546384
C -3.543364 0.173059 -0.153893
C 4.214447 -0.307162 0.533697
C -2.984962 1.321213 0.432488
C -2.775895 -0.882129 -0.670504
C 2.039312 -2.499470 -1.979075
C 2.612488 -4.203839 -0.307744
C 5.205332 0.657215 0.680323
C 4.838624 2.046063 0.726602
C -6.044499 -0.703355 1.282164
H 2.076356 -2.354295 1.421028
H 0.601172 -2.409046 0.426827
H -1.092961 2.259828 0.986886
H -0.756980 -1.589145 -0.988646
H 4.381735 -1.381982 0.431332
H -3.626414 2.148826 0.753509
H -3.264311 -1.713799 -1.189653
H 2.000350 -1.412402 -2.164273
H 1.028467 -2.927623 -2.195566
H 2.756749 -2.945705 -2.689434
H 3.299966 -4.669063 -1.035388
H 1.635821 -4.746066 -0.362046
H 3.030921 -4.354023 0.703994
H 6.253072 0.356954 0.745970
H 5.609097 2.815613 0.841444
H -5.743324 -0.028736 2.095126
H -7.136465 -0.757803 1.170665
H -5.584117 -1.697907 1.356880


