%chk=000176857.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176857

0 1
O -1.931548 0.534107 0.099992
O 2.871978 0.908051 1.303689
O -4.153081 1.011360 0.356879
N -3.270159 -1.042267 1.078121
N -1.732937 1.773240 -2.999651
C -1.819853 -2.484429 -0.406970
C -2.075420 -1.927613 1.001326
C -0.564951 -3.366209 -0.428924
C -0.300555 -3.926592 -1.824155
C -3.246929 0.213164 0.475863
C -4.595736 -1.708989 1.145007
C -1.715630 1.894379 -0.378138
C -0.355202 2.310527 0.143830
C 0.607070 1.336625 0.432771
C -0.079119 3.671097 0.322821
C 1.852468 1.763336 0.903093
C 1.179097 4.067048 0.797445
C 2.160384 3.122384 1.090871
C -1.724438 1.830865 -1.847680
C 2.914148 -0.403589 0.813726
C 2.695663 -0.721002 -0.530907
C 3.302166 -1.356495 1.765646
C 2.868562 -2.050276 -0.926356
C 3.475791 -2.674695 1.340257
C 3.253981 -3.023720 0.002267
H -2.694889 -3.060114 -0.762400
H -1.700366 -1.643736 -1.123105
H -1.195440 -1.330060 1.344439
H -2.213766 -2.751374 1.735543
H -0.671591 -4.198695 0.293806
H 0.315737 -2.780716 -0.091647
H -0.167124 -3.126415 -2.562286
H 0.606714 -4.540974 -1.838056
H -1.127837 -4.555340 -2.173114
H -2.548434 2.555236 -0.005075
H -5.404700 -0.952859 1.182459
H -4.782110 -2.370923 0.284130
H -4.648811 -2.303460 2.073098
H 0.370848 0.278459 0.307888
H -0.830352 4.425151 0.096001
H 1.392817 5.128032 0.936152
H 3.143327 3.409289 1.460048
H 2.413234 0.045936 -1.249364
H 3.468219 -1.059236 2.798833
H 2.703407 -2.326607 -1.968263
H 3.783503 -3.435983 2.057251
H 3.387564 -4.055121 -0.317565


%chk=000176857-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176857

0 1
O -1.741341 -0.083321 -0.338605
O 3.314944 1.148549 1.779173
O -3.524619 1.454373 -0.142762
N -3.713195 -0.758755 0.642564
N 0.338925 0.026974 -3.028026
C -3.251834 -2.996664 -0.450973
C -3.097577 -2.099683 0.798886
C -2.665737 -4.408824 -0.223764
C -2.787919 -5.307806 -1.472793
C -3.064257 0.294470 0.052675
C -5.117907 -0.584736 1.052071
C -0.944252 1.046260 -0.924828
C -0.021538 1.655744 0.122565
C 1.249982 1.093495 0.387255
C -0.479441 2.776859 0.856855
C 2.062049 1.671063 1.387965
C 0.342575 3.332691 1.862755
C 1.615349 2.788516 2.130720
C -0.234245 0.472225 -2.082224
C 4.113929 0.374228 0.892916
C 4.286439 0.707960 -0.470350
C 4.822733 -0.695476 1.480210
C 5.173139 -0.063255 -1.254473
C 5.711862 -1.451960 0.685337
C 5.886547 -1.143558 -0.684312
H -4.323627 -3.079715 -0.723321
H -2.735644 -2.512784 -1.301900
H -2.027831 -1.974984 1.035825
H -3.583954 -2.581306 1.669402
H -3.181242 -4.891027 0.632501
H -1.598363 -4.318878 0.063284
H -2.256221 -4.861462 -2.333543
H -2.357447 -6.309598 -1.291770
H -3.846475 -5.442169 -1.764654
H -1.671791 1.806947 -1.271413
H -5.434549 0.440951 0.810771
H -5.770826 -1.299378 0.516927
H -5.225056 -0.750365 2.140282
H 1.595718 0.219045 -0.173613
H -1.471352 3.192578 0.649970
H -0.005542 4.198605 2.435341
H 2.270350 3.206715 2.900678
H 3.749273 1.553949 -0.910119
H 4.671799 -0.914235 2.541501
H 5.307141 0.187161 -2.312330
H 6.264631 -2.283143 1.136616
H 6.572098 -1.735477 -1.299674


