%chk=000193223.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193223

0 1
O -1.431537 1.163641 0.524402
O -2.009919 2.334803 -2.380718
O -4.114193 2.106817 -1.052337
O -4.226911 -1.043694 1.379734
O -1.478094 -1.562059 -1.823674
O 4.444819 -1.794767 0.295555
N 0.015267 -0.152813 -0.790912
N 1.505571 1.011682 0.744400
N 1.939707 -2.246516 -0.974563
N 3.719314 0.160264 1.227528
N 3.048236 2.281826 2.075573
C -2.065580 1.028702 -1.791252
C -0.879491 1.047616 -0.796274
C -3.346879 0.924095 -0.909361
C -2.830184 0.744212 0.536298
C -2.887100 -0.712262 1.023403
C 1.243734 -0.076774 -0.097458
C -0.343808 -1.421076 -1.424780
C 2.196792 -1.102665 -0.244416
C 0.760617 -2.397339 -1.508715
C 3.545052 -1.009449 0.397688
C 2.810221 1.085547 1.369028
H -2.015027 0.262075 -2.594275
H -0.264535 1.976729 -0.942057
H -4.048342 0.116851 -1.223760
H -3.310598 1.448498 1.247460
H -2.198557 -0.875218 1.871146
H -2.652335 -1.439757 0.215073
H -2.792154 2.463425 -2.975939
H -3.556728 2.909562 -0.879410
H 0.794659 1.731004 0.912348
H 0.531418 -3.316850 -2.069881
H -4.487775 -0.600180 2.214103
H 3.966814 2.326950 2.524032
H 2.309527 2.629019 2.674615


%chk=000193223-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193223

0 1
O -1.172490 1.439381 0.221546
O -2.806035 0.525623 -2.864292
O -3.830666 2.189352 -1.137741
O -3.952878 -0.084104 2.293353
O -0.491965 -0.488849 -3.435479
O 4.243036 -2.011642 0.552988
N 0.196596 0.013199 -1.227323
N 1.182520 0.698012 0.871623
N 2.410407 -1.721435 -1.623998
N 3.252845 -0.233286 1.707141
N 2.160520 1.480747 2.864923
C -2.366042 0.250053 -1.519694
C -1.005764 0.944318 -1.147497
C -3.388210 0.924993 -0.565695
C -2.588736 1.224040 0.700303
C -2.603849 0.096114 1.753777
C 1.213507 -0.088670 -0.266713
C 0.346655 -0.673667 -2.487390
C 2.292728 -0.986314 -0.463048
C 1.496411 -1.558740 -2.579848
C 3.337950 -1.142469 0.613408
C 2.240961 0.610808 1.797399
H -2.293706 -0.836984 -1.314400
H -0.816781 1.797241 -1.826285
H -4.245833 0.258029 -0.357431
H -2.912253 2.187207 1.131829
H -1.863967 0.315910 2.551519
H -2.349002 -0.877001 1.301161
H -2.067831 0.174402 -3.455565
H -3.858882 2.048504 -2.126141
H 0.326300 1.267269 1.010793
H 1.606214 -2.115409 -3.515613
H -4.207719 0.703185 2.838107
H 2.913313 1.423977 3.547836
H 1.494649 2.248106 2.909051


