%chk=000208589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208589

0 1
S 2.639754 -2.461182 -0.117427
O -2.229224 -2.393520 0.022999
O -4.250401 1.739515 -0.296520
N -3.266190 -0.355320 -0.140151
N -1.951710 1.662227 -0.090914
N 0.308243 -1.299356 0.270134
N 1.977308 0.220942 -0.481554
C -0.825342 -0.451499 0.077341
C -2.110897 -1.182835 -0.011700
C -0.776320 0.912210 0.041723
C -3.242047 1.066566 -0.187228
C -4.599633 -1.005734 -0.261557
C -1.857528 3.142016 -0.150756
C 1.601831 -0.967754 -0.151776
C 3.367128 0.557471 -0.826495
C 3.509158 -2.273631 1.452724
C 4.132641 1.021340 0.386048
C 5.452519 0.896122 0.500410
H 0.169358 1.477052 0.104809
H -4.889895 -1.092089 -1.322543
H -5.367597 -0.410427 0.264272
H -4.563381 -2.020953 0.176931
H -1.237340 3.459290 -1.006343
H -1.426533 3.543013 0.782022
H -2.867940 3.584553 -0.277886
H 0.070090 -2.306746 0.319850
H 3.301438 1.404559 -1.557792
H 3.902443 -0.265746 -1.356833
H 2.814913 -2.205108 2.298965
H 4.158192 -1.387277 1.456664
H 4.139025 -3.162624 1.597076
H 3.523685 1.491025 1.161985
H 6.007706 1.253427 1.356188
H 6.084646 0.438072 -0.246965


%chk=000208589-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208589

0 1
S 2.738728 -2.550903 -0.457802
O -2.130057 -2.428939 0.092330
O -4.289585 1.746683 -0.072756
N -3.214693 -0.335923 0.010119
N -1.945186 1.665672 -0.265379
N 0.322909 -1.315568 -0.226079
N 2.065201 0.250190 -0.524550
C -0.786327 -0.453084 -0.193782
C -2.063740 -1.161998 -0.021107
C -0.765134 0.921632 -0.305187
C -3.216777 1.077393 -0.108599
C -4.541099 -0.973881 0.178985
C -1.870733 3.137141 -0.393135
C 1.657300 -0.978765 -0.395927
C 3.480952 0.600810 -0.747464
C 3.418305 -2.487165 1.311933
C 4.078354 1.271494 0.479863
C 5.307666 0.998255 0.982853
H 0.179703 1.452856 -0.429203
H -5.183917 -0.736144 -0.683965
H -5.028555 -0.589672 1.089600
H -4.377453 -2.058397 0.254137
H -1.414814 3.413171 -1.359625
H -1.272050 3.562098 0.431084
H -2.895454 3.533295 -0.344052
H 0.077858 -2.309782 -0.131802
H 3.503608 1.323682 -1.589010
H 4.092419 -0.277962 -1.041581
H 2.598516 -2.620120 2.033059
H 3.936305 -1.532381 1.483937
H 4.129306 -3.324416 1.390805
H 3.443946 2.034491 0.953633
H 5.702935 1.534657 1.852699
H 5.959664 0.239180 0.531670


