%chk=000180236.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180236

0 1
O -3.050871 -2.932249 -1.093474
O -4.371342 -0.837959 -1.830155
O -2.112452 -1.581963 1.909599
O -4.624973 0.054778 1.733675
N 0.530502 -0.198455 0.113324
C -3.361605 -2.066394 -0.007951
C -4.463230 -1.061078 -0.418162
C -2.034687 -1.420181 0.472202
C -4.361075 0.279879 0.354857
C -1.883242 0.058477 0.193981
C -2.984069 0.882257 0.154524
C -0.566079 0.628476 0.028753
C -0.436406 2.032902 -0.206402
C -2.851461 2.288878 -0.071426
C -1.616214 2.847389 -0.251205
C 0.866197 2.563146 -0.371762
C 1.763231 0.319966 -0.046495
C 1.973504 1.730363 -0.297543
C 2.925366 -0.574488 0.039258
C 3.330134 2.224801 -0.456206
C 4.222067 -0.032334 -0.120170
C 4.391083 1.392372 -0.370361
C 2.775044 -1.960231 0.273332
C 5.346578 -0.884771 -0.037182
C 3.889723 -2.782688 0.351101
C 5.180554 -2.242326 0.196180
H -3.725359 -2.754768 0.799351
H -5.477101 -1.512236 -0.305706
H -1.171476 -2.015745 0.083496
H -5.184013 0.969207 0.049678
H -3.753183 2.902813 -0.085077
H -1.502336 3.918037 -0.424399
H 0.987947 3.632156 -0.554876
H -3.326314 -2.525848 -1.960860
H -3.600952 -0.260982 -2.045872
H -1.251308 -1.340773 2.318010
H -3.873783 -0.455317 2.158582
H 3.456199 3.291196 -0.645572
H 5.411050 1.761514 -0.487378
H 1.770365 -2.376618 0.389565
H 6.345335 -0.467950 -0.158586
H 3.771133 -3.850596 0.531118
H 6.048418 -2.898556 0.259832


%chk=000180236-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180236

0 1
O -2.978790 -2.877461 -1.252925
O -4.359664 -0.717983 -1.886434
O -2.241919 -1.548626 2.022279
O -4.583084 -0.095315 1.845279
N 0.528221 -0.211530 0.109352
C -3.331329 -2.087940 -0.076585
C -4.459508 -1.064840 -0.441687
C -2.060537 -1.425551 0.527448
C -4.371102 0.216103 0.425011
C -1.881411 0.043954 0.195189
C -3.016930 0.874587 0.172498
C -0.569048 0.612663 0.013523
C -0.449504 2.041271 -0.246026
C -2.887473 2.279683 -0.075122
C -1.634275 2.850468 -0.286685
C 0.856560 2.567798 -0.426392
C 1.771330 0.313900 -0.063331
C 1.986633 1.729477 -0.343304
C 2.932398 -0.576495 0.039011
C 3.336049 2.227592 -0.512782
C 4.253215 -0.032535 -0.131404
C 4.420809 1.382478 -0.408942
C 2.779903 -1.967497 0.300301
C 5.381379 -0.899482 -0.027305
C 3.903144 -2.803396 0.398053
C 5.211981 -2.267123 0.235386
H -3.707136 -2.790279 0.688067
H -5.450466 -1.531635 -0.341102
H -1.177021 -2.008082 0.225431
H -5.196734 0.897893 0.160509
H -3.790307 2.900467 -0.087763
H -1.537436 3.925518 -0.479034
H 0.987120 3.638735 -0.625162
H -3.342482 -2.376573 -2.039083
H -3.661514 -0.017369 -1.992765
H -1.402370 -1.264223 2.464565
H -3.785027 -0.617532 2.175732
H 3.476639 3.294255 -0.723479
H 5.438560 1.769467 -0.536827
H 1.766607 -2.362047 0.416550
H 6.386717 -0.481815 -0.157153
H 3.773941 -3.872439 0.597637
H 6.084761 -2.924440 0.313067


