%chk=000230313.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230313

0 1
O 0.039776 -0.889403 0.947272
O -0.927784 -0.768472 -1.587829
O 3.401250 -2.925935 1.517786
O 1.268864 -2.743018 1.840942
O 4.937838 2.545425 -0.959412
O 5.958555 0.782480 -0.227505
N 2.339742 -2.327414 1.444621
N 4.954069 1.434728 -0.453006
C -3.777886 0.709694 0.289248
C -1.195249 -0.250344 0.679231
C -1.758798 -0.274786 -0.620188
C -3.056246 0.212988 -0.808464
C -5.168135 1.244721 0.079415
C -3.202345 0.726763 1.570586
C -1.907289 0.244183 1.770393
C 1.182475 -0.256940 0.579663
C 2.374670 -0.990812 0.831844
C 1.246230 1.034589 0.002604
C 3.614024 -0.431188 0.484996
C 3.659115 0.841328 -0.088538
C 2.470509 1.577104 -0.328941
C -6.064201 0.249767 -0.602955
C -1.458552 -0.898156 -2.933620
C -6.935979 0.578898 -1.552997
H -3.520769 0.202684 -1.792061
H -5.638820 1.533645 1.046907
H -5.106379 2.194622 -0.498730
H -3.766985 1.107935 2.419940
H -1.452523 0.233228 2.762976
H 0.323081 1.586934 -0.182940
H 4.543586 -1.000472 0.668440
H 2.546949 2.576514 -0.779227
H -5.958290 -0.777032 -0.245203
H -1.707013 0.085860 -3.340049
H -2.316151 -1.577573 -2.939493
H -0.602288 -1.342200 -3.460986
H -7.593623 -0.138729 -2.023778
H -7.070827 1.580885 -1.933141


%chk=000230313-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230313

0 1
O 0.033182 -0.785630 1.230103
O -0.873249 -0.726089 -1.382380
O 3.364795 -3.117455 1.045207
O 1.671338 -2.541538 2.464070
O 4.838913 2.531201 -1.367846
O 5.948048 0.657372 -0.678541
N 2.472094 -2.292921 1.488792
N 4.877424 1.367669 -0.805102
C -3.888354 0.643445 0.430065
C -1.242770 -0.218717 0.922712
C -1.750691 -0.248326 -0.407132
C -3.073108 0.191687 -0.639486
C -5.307588 1.144266 0.152949
C -3.366571 0.641726 1.745698
C -2.044478 0.207282 1.991198
C 1.192459 -0.222812 0.728504
C 2.410651 -0.960826 0.839164
C 1.227282 1.056465 0.111928
C 3.615153 -0.452906 0.322099
C 3.611972 0.819596 -0.274589
C 2.426375 1.584815 -0.379844
C -6.082251 0.289747 -0.834056
C -1.383305 -0.864643 -2.752915
C -6.643615 0.746988 -1.981469
H -3.492601 0.174600 -1.650525
H -5.858517 1.185828 1.113608
H -5.265755 2.184066 -0.229036
H -3.991623 0.971917 2.582124
H -1.628644 0.176896 3.002582
H 0.298311 1.626821 0.029001
H 4.534589 -1.040284 0.385027
H 2.466974 2.572629 -0.845689
H -6.185956 -0.772784 -0.566494
H -1.664978 0.118196 -3.175948
H -2.250623 -1.550281 -2.783606
H -0.547019 -1.291451 -3.324273
H -7.211552 0.086571 -2.646031
H -6.561713 1.799383 -2.282067


