%chk=000189961.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189961

1 1
O 2.288250 -0.569168 1.711080
O -0.037046 0.193814 -0.104327
O -0.029202 -1.340085 1.568110
O 1.823204 1.641970 1.804179
N 4.306369 0.179882 -0.737175
C 4.259940 -0.833307 0.409324
C 2.941647 0.762101 -1.019030
C 4.796498 -0.543361 -1.976557
C 5.270523 1.296896 -0.405158
C 3.715424 -0.303378 1.736901
C 1.436358 0.504698 1.681343
C 0.003285 0.047530 1.333526
C -0.791978 1.260215 -0.620405
C -1.289750 -1.966194 1.670984
C -0.686553 2.555800 -0.108180
C -2.455860 -1.482737 1.079555
C -1.578215 0.934082 -1.730730
C -1.231518 -3.161738 2.400100
C -1.413267 3.566944 -0.746124
C -3.624211 -2.239591 1.238735
C -2.284265 1.966443 -2.353816
C -2.410170 -3.896907 2.533813
C -2.205356 3.275441 -1.862158
C -3.603431 -3.436155 1.960138
H 3.611434 -1.700236 0.099821
H 5.283055 -1.252618 0.565297
H 2.877444 1.207699 -2.028300
H 2.129375 0.001642 -0.947930
H 2.674823 1.568912 -0.302958
H 4.090521 -1.338291 -2.288955
H 4.902848 0.145402 -2.837090
H 5.783094 -1.017139 -1.819238
H 6.294236 0.921132 -0.224115
H 5.333381 2.038964 -1.225053
H 4.955327 1.853820 0.500417
H 3.922124 0.764580 1.942170
H 4.075781 -0.920624 2.589730
H -0.786929 0.624127 1.857661
H -0.058523 2.783156 0.752335
H -2.469320 -0.567736 0.493850
H -1.631964 -0.093463 -2.087018
H -0.294207 -3.495327 2.839503
H -1.360097 4.589843 -0.367878
H -4.555643 -1.888831 0.790924
H -2.907458 1.747307 -3.223388
H -2.401882 -4.834189 3.093411
H -2.769429 4.071851 -2.350092
H -4.518967 -4.016476 2.077770


%chk=000189961-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189961

1 1
O 2.406267 -0.773070 1.425047
O -0.022028 0.001095 -0.156289
O -0.131690 -1.519636 1.683480
O 1.819703 1.410816 2.005821
N 4.521308 0.291048 -0.817097
C 4.588121 -0.773309 0.308494
C 3.074799 0.651560 -1.181046
C 5.204345 -0.307714 -2.049073
C 5.263388 1.560395 -0.400910
C 3.841524 -0.453326 1.604472
C 1.490486 0.250705 1.669495
C 0.060004 -0.165021 1.323710
C -0.801940 1.090038 -0.668195
C -1.474511 -2.010839 1.806906
C -0.832919 2.363960 -0.053628
C -2.612875 -1.321349 1.335836
C -1.500226 0.831075 -1.868211
C -1.577484 -3.268767 2.436037
C -1.602414 3.388164 -0.655493
C -3.884758 -1.911338 1.525590
C -2.249571 1.870076 -2.462058
C -2.853165 -3.845089 2.609203
C -2.307295 3.148548 -1.856511
C -4.011418 -3.167231 2.158768
H 4.183512 -1.706707 -0.118729
H 5.661409 -0.917750 0.525466
H 3.089648 1.203507 -2.133607
H 2.470453 -0.261971 -1.275429
H 2.650958 1.291589 -0.395197
H 4.615560 -1.168483 -2.400690
H 5.252183 0.457233 -2.838750
H 6.221892 -0.631697 -1.781504
H 6.313441 1.313039 -0.181197
H 5.215217 2.283971 -1.228928
H 4.779737 1.994614 0.486007
H 3.957262 0.584692 1.962943
H 4.211046 -1.140398 2.384525
H -0.660119 0.521375 1.812072
H -0.261923 2.570324 0.858639
H -2.538605 -0.363370 0.812526
H -1.464131 -0.171669 -2.305018
H -0.669591 -3.770437 2.783410
H -1.641057 4.375837 -0.184000
H -4.775402 -1.385612 1.165832
H -2.799449 1.675892 -3.388828
H -2.942075 -4.819817 3.099762
H -2.897846 3.947530 -2.315609
H -5.000071 -3.615786 2.296959


