%chk=000180139.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180139

0 1
S 4.177751 -0.467861 -2.146141
P 4.429205 -0.387960 -0.266915
O 3.334894 -1.227417 0.661081
O 4.383463 1.070808 0.468224
O 5.822100 -0.994441 0.353550
O -7.125400 -0.248778 0.287163
O -6.715256 1.612173 -0.735337
N -6.363918 0.582498 -0.181443
C -0.726676 -0.418398 0.257441
C -2.178228 -0.161548 0.143329
C 1.991025 -0.895838 0.467191
C -0.181956 -1.606192 -0.260030
C 0.105540 0.527111 0.881639
C 1.187241 -1.854226 -0.163364
C 1.475769 0.295090 0.995998
C -3.099760 -1.082894 0.672644
C -2.638148 1.004622 -0.494502
C -4.468260 -0.843718 0.569820
C -4.004734 1.251177 -0.604756
C -4.913891 0.324356 -0.069623
C 5.117791 2.163085 -0.186448
C 4.785634 3.355070 0.688689
C 6.194004 -2.316674 -0.114384
H -0.829700 -2.334340 -0.750670
H -0.322650 1.444733 1.287573
H 1.630826 -2.764241 -0.565375
H 2.134267 1.016546 1.485669
H -2.740769 -1.983491 1.172988
H -1.921570 1.712884 -0.913329
H -5.197710 -1.551058 0.980174
H -4.377583 2.153662 -1.102068
H 6.197470 1.920593 -0.169789
H 4.753627 2.291017 -1.224868
H 5.347571 4.245545 0.382666
H 3.715072 3.597215 0.650060
H 5.023689 3.148846 1.743052
H 7.160292 -2.470032 0.391093
H 6.331926 -2.339633 -1.203830
H 5.470252 -3.067289 0.227124


%chk=000180139-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180139

0 1
S 4.310785 -0.018988 -2.421292
P 4.513591 -0.231555 -0.383852
O 3.265057 -1.090035 0.488318
O 4.610727 1.182609 0.589017
O 5.878829 -1.101517 0.200282
O -7.415390 -0.437950 0.500568
O -7.081899 1.421100 -0.781105
N -6.647592 0.404730 -0.109870
C -0.920354 -0.419053 0.184622
C -2.389913 -0.208738 0.107128
C 1.883998 -0.817739 0.338946
C -0.371652 -1.727358 0.304859
C -0.019250 0.681778 0.145749
C 1.018415 -1.932402 0.372135
C 1.373139 0.495385 0.229702
C -3.293234 -1.094756 0.764331
C -2.936969 0.885699 -0.624716
C -4.683718 -0.903795 0.698324
C -4.324373 1.094523 -0.700644
C -5.185887 0.193723 -0.035782
C 5.647576 2.210455 0.242525
C 5.359501 3.415648 1.130672
C 6.296511 -2.333126 -0.511467
H -1.034660 -2.599055 0.303057
H -0.411214 1.703067 0.093027
H 1.444112 -2.937164 0.445139
H 2.055299 1.351369 0.238802
H -2.899192 -1.922998 1.361974
H -2.268168 1.560530 -1.168555
H -5.382043 -1.573111 1.207390
H -4.751522 1.926032 -1.267131
H 6.642655 1.774785 0.445705
H 5.562216 2.454038 -0.834135
H 6.110344 4.204464 0.939818
H 4.358190 3.828894 0.922280
H 5.410389 3.135571 2.196085
H 7.291300 -2.563912 -0.103689
H 6.356059 -2.156747 -1.601163
H 5.591536 -3.153399 -0.292760


