%chk=000201113.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201113

1 1
P 1.777733 -0.811928 -0.474577
O 3.019962 0.282471 -0.387272
O 1.815645 -1.511725 0.973294
O 0.578730 0.342288 -0.218739
O 1.711977 -1.554445 -1.726331
O -5.238689 -1.291271 -1.942301
O -5.601046 -0.547597 0.061753
N 2.615079 3.258455 0.078724
N -4.879075 -0.820585 -0.879919
C 2.417057 2.137174 1.099328
C 2.212506 2.801872 -1.304669
C 4.056444 3.714325 0.059219
C 1.736511 4.425657 0.483842
C 3.296787 0.897128 0.877570
C 1.738020 -3.004811 1.080638
C 2.889503 -3.647176 0.340040
C 1.787835 -3.187019 2.584198
C -0.743973 -0.039048 -0.412668
C -1.187749 -0.578426 -1.626952
C -1.606978 0.243988 0.657793
C -2.550660 -0.837454 -1.773335
C -2.966257 -0.014883 0.498694
C -3.428506 -0.550660 -0.715360
H 2.605151 2.533751 2.125475
H 1.331841 1.830728 1.080142
H 1.193518 2.359512 -1.306302
H 2.229637 3.627707 -2.035744
H 2.892583 2.003880 -1.682032
H 4.402424 4.037728 1.057573
H 4.733449 2.907359 -0.287027
H 4.205696 4.566668 -0.631984
H 0.665454 4.144050 0.496643
H 1.992544 4.810216 1.488095
H 1.833152 5.274035 -0.221388
H 3.164569 0.182703 1.725126
H 4.377591 1.141821 0.790071
H 0.746203 -3.292694 0.660164
H 2.967023 -4.717689 0.593667
H 2.780583 -3.614832 -0.757770
H 3.863472 -3.207863 0.592663
H 1.555423 -4.224434 2.866836
H 1.059774 -2.539105 3.093155
H 2.774784 -2.949904 3.002676
H -0.497393 -0.805001 -2.448365
H -1.216447 0.646355 1.589641
H -2.943445 -1.261579 -2.708867
H -3.679644 0.190457 1.308682


%chk=000201113-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201113

1 1
P 1.628589 -0.790178 -0.405264
O 2.890763 0.372521 -0.107516
O 1.551263 -1.796031 0.965702
O 0.298423 0.304948 -0.071618
O 1.749622 -1.420502 -1.847266
O -5.568437 -1.532110 -1.857312
O -5.985014 -0.757587 0.250609
N 2.848855 3.445759 -0.053539
N -5.196757 -1.018045 -0.735738
C 2.276191 2.501437 1.036991
C 2.377027 3.020237 -1.451514
C 4.374921 3.470771 -0.027276
C 2.318271 4.851900 0.234601
C 2.943487 1.126910 1.158083
C 2.016118 -3.263415 0.864007
C 3.533818 -3.314107 0.674278
C 1.508565 -3.883832 2.162497
C -1.064064 -0.097069 -0.253770
C -1.499508 -0.656272 -1.477438
C -1.950344 0.156493 0.814637
C -2.865182 -0.966235 -1.631603
C -3.317246 -0.142116 0.655174
C -3.751830 -0.700042 -0.566452
H 2.390829 3.033095 1.999454
H 1.204717 2.377302 0.809766
H 1.276720 3.022909 -1.470036
H 2.772261 3.741215 -2.183960
H 2.749136 2.007306 -1.652722
H 4.719852 3.692657 0.994596
H 4.759977 2.496400 -0.359658
H 4.724201 4.256095 -0.715183
H 1.219866 4.815014 0.294758
H 2.734088 5.210609 1.188823
H 2.622424 5.524439 -0.581773
H 2.430556 0.579517 1.971922
H 4.013866 1.191492 1.413840
H 1.494736 -3.685618 -0.015403
H 3.860005 -4.369183 0.639995
H 3.844653 -2.842641 -0.275258
H 4.053254 -2.823610 1.516084
H 1.730965 -4.966125 2.159711
H 0.418450 -3.756014 2.263636
H 2.004864 -3.430527 3.037620
H -0.791040 -0.845021 -2.290226
H -1.569365 0.570343 1.752383
H -3.251223 -1.400475 -2.557515
H -4.042524 0.037585 1.452973


