%chk=000195256.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195256

0 1
O 2.682536 0.621542 1.611014
O 1.702866 -1.817395 -1.020436
O 4.628208 -0.818826 -1.467861
O 3.151056 2.298961 -0.883230
O 4.929759 0.160227 1.500854
O -0.918203 -0.844768 -0.255206
O -2.676103 2.228500 -0.755163
O -4.503177 -1.961631 -0.067012
N -0.396815 -0.534987 1.947023
N -3.479191 0.148029 -0.028745
C 2.565557 -1.014243 -0.230572
C 1.790526 -0.157066 0.788055
C 3.414265 -0.112713 -1.163641
C 3.920173 1.177699 -0.476212
C 3.936793 1.051729 1.066205
C 0.991967 -1.021349 1.784161
C -1.267980 -0.497082 0.863524
C -2.682794 0.000570 1.191296
C -3.310370 1.233180 -0.968604
C -4.247840 -0.928251 -0.617285
C -4.129940 0.817804 -2.173617
C -4.654746 -0.397241 -1.977223
H 3.228377 -1.761250 0.274711
H 1.134716 0.576933 0.261243
H 2.868719 0.124650 -2.104084
H 4.947951 1.423117 -0.858692
H 4.133135 1.996151 1.623424
H 1.507194 -1.006556 2.775044
H 0.966640 -2.084078 1.434062
H 0.778973 -1.434974 -1.080743
H -0.631244 -0.128968 2.846705
H 4.432090 -1.583957 -2.056879
H 2.244576 2.269541 -0.498041
H 5.021546 -0.634841 0.921531
H -2.643347 0.985587 1.718350
H -3.191640 -0.729835 1.871690
H -4.215963 1.480083 -3.023135
H -5.283372 -0.992893 -2.623613


%chk=000195256-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000195256

0 1
O 2.654500 1.319998 1.212733
O 1.470769 -1.700534 -0.800190
O 4.617593 -1.372564 -0.921993
O 3.334938 2.029024 -1.402880
O 4.775915 0.120306 1.480231
O -0.595581 -2.351338 0.775997
O -2.847919 1.723110 0.836113
O -4.075800 -1.977534 -1.778875
N -0.707932 -0.125347 1.456643
N -3.289762 -0.362560 -0.209544
C 2.369808 -0.850011 -0.034940
C 1.660701 0.366743 0.611862
C 3.479498 -0.422203 -1.027393
C 4.090477 0.969703 -0.730212
C 4.079702 1.176075 0.797046
C 0.720476 0.003310 1.795470
C -1.268258 -1.289710 1.007599
C -2.803798 -1.282444 0.830919
C -3.314235 1.045199 -0.122631
C -3.908106 -0.788697 -1.432517
C -3.977537 1.544655 -1.377168
C -4.313714 0.474755 -2.148870
H 2.842428 -1.420880 0.794552
H 1.081996 0.907340 -0.166054
H 3.055397 -0.420277 -2.046885
H 5.115925 0.994681 -1.134816
H 4.509848 2.134411 1.127779
H 0.819652 0.817041 2.533445
H 1.060992 -0.935107 2.269143
H 0.784504 -2.125883 -0.190951
H -1.324249 0.695543 1.562761
H 4.290391 -2.278056 -1.156023
H 2.713937 2.427704 -0.736713
H 4.948156 -0.644125 0.852970
H -3.290623 -1.032037 1.791782
H -3.099222 -2.298873 0.525389
H -4.118233 2.607921 -1.569844
H -4.797736 0.452059 -3.125036


