%chk=000281714.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000281714

0 1
S -1.587476 2.871558 -0.095402
O 2.649785 -3.177547 0.458401
O -4.401641 -2.077445 -1.262388
O -4.589926 -1.144149 0.764992
N -0.568994 0.358372 0.350960
N 0.979378 1.913481 -0.387528
N 3.220602 -1.059045 -0.147043
N 0.893693 -1.633083 0.472463
C -1.862846 -0.241407 0.713954
C 0.644460 -0.335907 0.231699
C 1.621349 0.657233 -0.215472
C -0.292330 1.708664 -0.065138
C 2.942149 0.267453 -0.400121
C -2.495901 -0.936245 -0.501576
C 4.022344 1.182938 -0.840615
C 2.201303 -2.068704 0.300123
C -3.900392 -1.354954 -0.204138
C -0.720910 4.420154 -0.399772
H -1.691658 -0.988330 1.532493
H -2.544070 0.540431 1.128693
H -1.886058 -1.824975 -0.801951
H -2.483795 -0.278298 -1.400946
H 4.176691 -1.413100 -0.261866
H 4.821145 1.281053 -0.088390
H 3.629935 2.204820 -1.016679
H 4.489375 0.860305 -1.784395
H -0.122419 4.381962 -1.321937
H -0.041753 4.679062 0.424239
H -1.473024 5.214409 -0.501001
H -5.336115 -2.385107 -1.109160


%chk=000281714-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000281714

0 1
S -1.608638 3.065658 0.001703
O 2.414236 -3.242204 0.282214
O -4.317378 -2.384324 -1.199317
O -4.443501 -1.420066 0.910542
N -0.622119 0.461325 0.261197
N 0.974697 2.030177 -0.314087
N 3.062881 -1.049677 -0.195021
N 0.739547 -1.562638 0.325344
C -1.914834 -0.138908 0.627426
C 0.578980 -0.248376 0.143763
C 1.567107 0.748671 -0.210539
C -0.315508 1.814641 -0.029946
C 2.874578 0.309571 -0.385503
C -2.461675 -1.021369 -0.514153
C 4.040997 1.184045 -0.752675
C 2.046511 -2.043512 0.158467
C -3.815084 -1.597059 -0.157083
C -0.541904 4.563192 -0.405949
H -1.769393 -0.752183 1.533065
H -2.624254 0.666762 0.880131
H -1.759980 -1.852560 -0.712998
H -2.557308 -0.449020 -1.455281
H 3.998351 -1.453428 -0.305258
H 4.832093 1.142534 0.019302
H 3.701419 2.226152 -0.850598
H 4.491093 0.869400 -1.712945
H -0.065364 4.412823 -1.383987
H 0.222767 4.685783 0.372870
H -1.234725 5.417821 -0.424752
H -5.200691 -2.759634 -0.933433


