%chk=000122292.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000122292

0 1
O -2.513429 1.844802 -0.125029
O -1.913188 1.013285 1.880267
O 0.942613 -2.749592 -2.188762
O 2.791496 0.019248 2.689076
O 4.341287 0.408311 1.239134
N 1.431551 1.525331 -1.531783
N 3.159106 0.329070 1.565055
N 0.997844 -1.582376 -1.458153
N 0.477916 -3.796479 -1.432623
C 0.718452 0.400802 1.009358
C -0.266877 1.146918 0.132193
C 2.148602 0.630873 0.575128
C 0.392118 -1.084812 0.982867
C 0.078668 1.599631 -1.103638
C 2.456980 1.070347 -0.691314
C 0.569391 -1.864033 -0.222153
C -1.592775 1.298796 0.744601
C -0.085964 -1.727107 2.085259
C -0.847683 2.228363 -2.080834
C 3.829151 1.150813 -1.249636
C 0.228180 -3.321802 -0.207063
C -0.411014 -3.141367 2.095274
C -0.266252 -3.929474 0.998854
C -3.899416 2.029659 0.369313
C -4.434803 3.121148 -0.542838
C -4.617127 0.698436 0.235942
H 0.603723 0.775508 2.071709
H 1.643270 1.712805 -2.512933
H -0.245143 -1.176365 3.019701
H -0.384831 2.587987 -3.005681
H -1.384978 3.081794 -1.618237
H -1.653233 1.519067 -2.357282
H 4.496930 1.741697 -0.585549
H 3.906390 1.568674 -2.259086
H 4.302337 0.146622 -1.263781
H -0.781222 -3.554178 3.036818
H -3.830286 2.358673 1.431107
H -0.501938 -4.992850 0.986316
H -5.477353 3.360366 -0.300862
H -3.847928 4.043272 -0.448346
H -4.399262 2.820753 -1.597585
H -5.683997 0.789647 0.468244
H -4.191532 -0.045255 0.926422
H -4.529274 0.286394 -0.776469


%chk=000122292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122292

0 1
O -2.555801 1.903350 -0.201123
O -1.921433 0.891863 1.806135
O 0.796271 -2.848161 -2.222221
O 2.680774 -0.039669 2.770862
O 4.388805 0.561010 1.375732
N 1.477484 1.466660 -1.530031
N 3.120305 0.377524 1.616579
N 0.868643 -1.612098 -1.469239
N 0.389318 -3.960302 -1.399886
C 0.692150 0.348393 0.974106
C -0.279078 1.109645 0.057466
C 2.137946 0.642080 0.591556
C 0.399144 -1.161559 0.977999
C 0.119727 1.561256 -1.186742
C 2.502420 1.097593 -0.667394
C 0.508930 -1.976159 -0.205557
C -1.625470 1.272691 0.637624
C 0.005938 -1.824963 2.138071
C -0.739149 2.199930 -2.256115
C 3.897640 1.268240 -1.217670
C 0.218222 -3.407700 -0.166567
C -0.281430 -3.241220 2.177404
C -0.183795 -4.048782 1.048971
C -3.949426 2.075317 0.357220
C -4.545621 3.262377 -0.402584
C -4.724557 0.762653 0.174776
H 0.527210 0.686374 2.011643
H 1.736202 1.695056 -2.490749
H -0.088368 -1.242853 3.059558
H -0.153719 2.382665 -3.175661
H -1.157457 3.158569 -1.907514
H -1.599787 1.559458 -2.502770
H 4.451216 2.042682 -0.660669
H 3.862080 1.547138 -2.286988
H 4.483443 0.342878 -1.101610
H -0.581891 -3.683267 3.133061
H -3.837925 2.299936 1.433991
H -0.396770 -5.120210 1.070117
H -5.565780 3.469083 -0.031587
H -3.934100 4.169865 -0.259861
H -4.608314 3.045965 -1.483985
H -5.755255 0.878477 0.557529
H -4.241804 -0.056512 0.732921
H -4.780438 0.488129 -0.893795


