%chk=000184543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184543

0 1
S 1.037234 2.510874 0.948321
O -2.781856 0.923104 -1.053028
N -1.309270 -0.470068 0.084970
N -3.607920 -1.096476 -0.254286
N -0.478412 1.695056 0.727878
C 1.152423 0.045716 0.174636
C 2.004264 1.119156 0.512314
C -0.268105 0.457220 0.316708
C 1.693927 -1.176748 -0.237318
C 3.085029 -1.312736 -0.294174
C 3.391898 0.993768 0.460048
C 3.923869 -0.227966 0.057979
C -2.599306 -0.090436 -0.415110
C 3.705236 -2.599582 -0.731021
C -4.971819 -0.645443 -0.646837
C -3.588947 -1.928769 0.976410
H 1.045241 -2.001640 -0.520784
H 4.041051 1.827121 0.723972
H 5.005124 -0.355098 0.007681
H -1.083483 -1.453587 0.225590
H 4.369477 -3.008518 0.044258
H 2.964184 -3.376151 -0.960605
H 4.312069 -2.460517 -1.638455
H -4.905573 0.033971 -1.520297
H -5.501366 -0.106262 0.153778
H -5.562018 -1.525452 -0.948399
H -2.743045 -2.634970 0.933895
H -4.507690 -2.536434 1.038342
H -3.510715 -1.336635 1.903633


%chk=000184543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184543

0 1
S 1.115197 2.707272 0.931573
O -2.787858 1.058419 -1.036799
N -1.341190 -0.307084 0.242004
N -3.606088 -0.906128 -0.050413
N -0.490129 1.855002 0.790557
C 1.121777 0.146309 0.233299
C 2.033546 1.205142 0.506941
C -0.266360 0.585457 0.410538
C 1.618057 -1.121293 -0.169057
C 3.006628 -1.338880 -0.278622
C 3.427203 1.011528 0.399621
C 3.896660 -0.259557 0.016381
C -2.605973 0.033664 -0.325750
C 3.563544 -2.683719 -0.711481
C -4.890537 -0.783280 -0.756706
C -3.476911 -1.979020 0.945794
H 0.922700 -1.932512 -0.419902
H 4.130630 1.824057 0.606594
H 4.977425 -0.426584 -0.068024
H -1.145213 -1.289020 0.439899
H 4.222127 -3.115222 0.065606
H 2.759299 -3.412157 -0.912061
H 4.167860 -2.589598 -1.633141
H -4.820879 0.066655 -1.452236
H -5.715213 -0.590153 -0.043608
H -5.119627 -1.705956 -1.324257
H -3.044867 -2.912661 0.524761
H -4.478534 -2.228689 1.337161
H -2.861775 -1.649494 1.801428


