%chk=000186586.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186586

0 1
O -6.758186 0.104679 0.004796
O 5.290903 1.185651 1.238013
O 4.913262 2.213229 -1.266145
N 3.356521 1.074968 -0.006203
C -0.691293 -0.399164 0.005531
C 0.414145 -1.330023 0.012857
C -2.014164 -0.869967 0.011750
C -0.424510 1.020867 -0.009879
C 1.767944 -0.867329 0.005552
C 0.155261 -2.724793 0.024392
C -3.110677 0.070710 0.002262
C 1.987214 0.585693 -0.003729
C 0.959608 1.470052 -0.011523
C -2.825262 1.464176 -0.013844
C -1.471291 1.916058 -0.019603
C -2.245818 -2.294521 0.026950
C -1.213883 -3.180784 0.032951
C 2.811009 -1.789294 0.003007
C 1.238805 -3.636846 0.025941
C -4.467567 -0.355249 0.008243
C 2.542655 -3.171509 0.014094
C -3.901964 2.407816 -0.023925
C -5.473518 0.590759 -0.001828
C -5.209577 1.992652 -0.018185
C 4.088688 1.103220 1.245140
C 3.940831 1.502403 -1.263648
C 3.250199 0.988504 2.480932
C 3.235249 1.018643 -2.493445
H 1.138151 2.547032 -0.016973
H -1.282274 2.990058 -0.031547
H -3.281562 -2.644027 0.033199
H -1.395428 -4.255477 0.043954
H 3.850094 -1.454130 -0.008663
H 1.035428 -4.707357 0.035589
H -4.717491 -1.415889 0.020635
H 3.377184 -3.873782 0.013411
H -3.661793 3.472576 -0.036354
H -6.031942 2.701740 -0.025754
H 2.466022 1.757547 2.530357
H 2.749834 0.010575 2.555308
H 3.880123 1.101660 3.378256
H 2.248822 1.488621 -2.619024
H 3.827928 1.261695 -3.390334
H 3.075427 -0.070167 -2.488724
H -7.432107 0.827626 -0.002989


%chk=000186586-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186586

0 1
O -6.854870 0.126420 -0.007805
O 5.358773 1.272923 1.277119
O 5.004526 2.193277 -1.314358
N 3.380423 1.069417 -0.008240
C -0.688124 -0.420006 0.009667
C 0.416654 -1.345390 0.023466
C -2.041370 -0.896647 0.016769
C -0.413438 1.008778 -0.013289
C 1.782474 -0.872367 0.012749
C 0.162891 -2.765288 0.041855
C -3.141617 0.057282 -0.000165
C 2.016310 0.569146 -0.001014
C 0.960291 1.457685 -0.013898
C -2.837383 1.477558 -0.022876
C -1.482391 1.918578 -0.028535
C -2.260106 -2.321731 0.039400
C -1.203743 -3.219164 0.051505
C 2.845262 -1.809968 0.010716
C 1.259523 -3.676174 0.047221
C -4.511384 -0.342800 0.004033
C 2.581563 -3.200678 0.029894
C -3.915160 2.424222 -0.039712
C -5.536330 0.608598 -0.013150
C -5.244312 2.009864 -0.035166
C 4.116723 1.120934 1.239432
C 3.961298 1.503523 -1.262558
C 3.275821 0.964144 2.502105
C 3.204674 1.079055 -2.518897
H 1.163432 2.535218 -0.021262
H -1.275654 2.995770 -0.045034
H -3.281783 -2.711076 0.046279
H -1.396861 -4.297934 0.067213
H 3.879905 -1.452195 -0.007192
H 1.058410 -4.753398 0.062284
H -4.802002 -1.395485 0.020476
H 3.417704 -3.907745 0.029858
H -3.676124 3.493420 -0.056676
H -6.059571 2.744429 -0.048374
H 2.458872 1.704887 2.541626
H 2.814585 -0.038110 2.558286
H 3.942977 1.099984 3.365963
H 2.277724 1.666405 -2.643931
H 3.860586 1.271172 -3.381087
H 2.920093 0.013491 -2.492859
H -7.508269 0.868874 -0.021034


