%chk=000229496.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229496

0 1
P 1.764422 -0.150877 -0.669690
O 0.278950 -0.763341 -0.839741
O 2.525300 -1.180873 0.387269
O 1.543243 1.106394 0.377535
O 2.523556 0.115239 -1.901539
N 1.407016 -3.655393 -2.795401
N 0.499408 4.396212 -1.167372
C -1.937279 -0.114267 -0.268045
C -3.107089 -0.483828 0.665148
C -1.835757 1.401718 -0.523049
C -4.467264 -0.269789 -0.011800
C -0.631706 -0.688836 0.307642
C -5.625502 -0.648390 0.921952
C -1.482298 2.233533 0.705461
C -6.980803 -0.435653 0.251387
C 3.314559 -2.228785 -0.211805
C 2.592077 2.099453 0.417218
C 2.437762 -3.474196 -0.408718
C 2.644150 2.950646 -0.858434
C 1.865220 -3.564522 -1.739205
C 1.449078 3.752481 -1.029388
H -2.098050 -0.609298 -1.263960
H -3.019854 -1.541260 0.981585
H -3.050923 0.119290 1.592633
H -1.085018 1.583505 -1.319352
H -2.799143 1.757209 -0.943403
H -4.569172 0.788273 -0.325866
H -4.525339 -0.865546 -0.943269
H -0.740784 -1.742547 0.627539
H -0.228224 -0.079621 1.136826
H -5.571231 -0.048873 1.851713
H -5.526953 -1.705677 1.236534
H -1.503152 3.305122 0.464023
H -2.184822 2.067363 1.528320
H -0.470155 2.008845 1.068566
H -7.802618 -0.707555 0.923057
H -7.083095 -1.043441 -0.655017
H -7.127637 0.610981 -0.039429
H 4.088991 -2.408183 0.562838
H 3.803973 -1.893925 -1.150683
H 3.568829 1.621388 0.624771
H 2.282298 2.699681 1.300581
H 3.032255 -4.394644 -0.195957
H 1.619536 -3.469522 0.356404
H 3.545962 3.608169 -0.832621
H 2.799283 2.302638 -1.771360


%chk=000229496-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229496

0 1
P 2.319816 0.112557 -0.716170
O 0.668746 0.418247 -1.025201
O 2.381021 -1.521324 -0.133248
O 2.678739 0.874560 0.797559
O 3.268150 0.491051 -1.930750
N -0.787945 -3.357418 0.628713
N 0.743228 4.025389 1.080269
C -1.724429 0.176624 -0.570876
C -2.755631 -0.246801 0.515734
C -2.122315 1.445547 -1.377526
C -4.169244 -0.525586 -0.043170
C -0.350340 0.320869 0.094715
C -5.135440 -1.066682 1.035444
C -2.443147 2.698959 -0.530491
C -6.550010 -1.352834 0.486742
C 2.193200 -2.616513 -1.114346
C 3.647529 1.993323 0.785696
C 1.662777 -3.818185 -0.310178
C 3.089113 3.254218 0.081221
C 0.308142 -3.580739 0.216339
C 1.801749 3.697085 0.639918
H -1.641651 -0.665802 -1.289948
H -2.386461 -1.169666 1.007066
H -2.821278 0.532004 1.302984
H -1.297239 1.677117 -2.078429
H -3.000898 1.199122 -2.005116
H -4.598722 0.397772 -0.481622
H -4.096969 -1.263592 -0.869501
H -0.111701 -0.562293 0.714718
H -0.258989 1.240829 0.697697
H -5.200632 -0.334153 1.866091
H -4.709658 -1.993459 1.470328
H -2.697945 3.548959 -1.190220
H -3.307265 2.530283 0.138307
H -1.588565 3.018886 0.092789
H -7.221718 -1.735277 1.277413
H -6.515669 -2.107837 -0.321498
H -7.007263 -0.435659 0.069110
H 3.170016 -2.865184 -1.564848
H 1.483837 -2.322153 -1.910449
H 4.581394 1.685968 0.281086
H 3.833520 2.175630 1.855189
H 1.654068 -4.716569 -0.956583
H 2.350106 -4.017540 0.531971
H 3.831213 4.070453 0.176698
H 2.966762 3.049110 -0.999730


