%chk=000268589.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268589

0 1
P 3.007561 0.789558 -0.655547
P -2.761311 -0.950322 0.064271
O 3.328395 1.122115 -2.202279
O -1.612451 -2.030972 -0.286630
N 4.378955 0.856251 0.492995
N 2.411896 -0.872208 -0.328795
N -4.411214 -1.635470 0.289420
N -3.142539 0.289721 -1.166863
N 1.854139 1.873618 0.034602
N -2.417044 -0.025269 1.472553
C 5.598007 1.644718 0.059043
C 5.654913 0.128675 0.127683
C 2.845713 -1.984262 -1.268973
C 1.428597 -1.451004 -1.337167
C -4.497210 -2.985786 0.977618
C -4.774478 -2.875407 -0.509211
C -3.202709 -0.129944 -2.620576
C -2.036819 0.700978 -2.115123
C 1.652171 2.014551 1.491460
C -1.322409 -0.463759 2.375998
C 0.250503 1.570068 1.975691
C 0.076875 0.038734 1.965948
C 1.111388 2.784111 -0.853016
C -3.330023 1.045252 1.919058
H 6.048417 2.246795 0.853527
H 5.577263 2.097673 -0.940489
H 5.694856 -0.408749 -0.828215
H 6.143683 -0.369100 0.970473
H 3.051762 -2.934302 -0.766765
H 3.510627 -1.721287 -2.102133
H 1.191460 -0.839429 -2.218771
H 0.586689 -1.988193 -0.888062
H -5.325858 -3.071181 1.686775
H -3.561204 -3.479480 1.269174
H -4.014780 -3.295446 -1.180933
H -5.803638 -2.881960 -0.880367
H -4.010018 0.339974 -3.189916
H -2.990772 -1.177560 -2.869636
H -1.999777 1.774740 -2.321945
H -1.066018 0.196720 -2.023057
H 1.812446 3.082689 1.756196
H 2.437104 1.432766 2.007872
H -1.587733 -0.108232 3.391876
H -1.295805 -1.569986 2.413553
H 0.105496 1.961432 3.005102
H -0.528366 2.044544 1.346133
H 0.818439 -0.416038 2.655925
H 0.313081 -0.361399 0.964257
H 1.235441 3.832390 -0.512358
H 0.027406 2.552340 -0.873636
H 1.515046 2.700276 -1.877234
H -3.917913 0.734419 2.806753
H -2.755780 1.955252 2.175852
H -4.029759 1.297492 1.105890


%chk=000268589-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268589

0 1
P 2.986509 0.757486 -0.671995
P -2.771540 -0.943768 0.067447
O 3.262216 1.080699 -2.229612
O -1.626510 -2.033897 -0.264300
N 4.394625 0.825712 0.434049
N 2.390444 -0.892189 -0.308806
N -4.427799 -1.619151 0.276474
N -3.130786 0.292085 -1.174117
N 1.856064 1.851943 0.043752
N -2.439059 -0.012771 1.475178
C 5.550626 1.710370 0.012390
C 5.694472 0.199397 -0.025574
C 2.871096 -2.043972 -1.173072
C 1.456857 -1.521631 -1.334046
C -4.526276 -2.975126 0.952399
C -4.794818 -2.849783 -0.534813
C -3.147354 -0.127435 -2.629165
C -2.004560 0.715243 -2.092367
C 1.659726 1.966773 1.506536
C -1.365390 -0.454457 2.406001
C 0.252792 1.541602 2.002490
C 0.054080 0.013109 2.018497
C 1.141584 2.805047 -0.820835
C -3.358472 1.059229 1.903679
H 5.997450 2.283344 0.830166
H 5.471008 2.226010 -0.953296
H 5.725527 -0.268166 -1.017950
H 6.243326 -0.323641 0.763215
H 3.056418 -2.967879 -0.616923
H 3.574163 -1.820680 -1.986258
H 1.262870 -0.950339 -2.252602
H 0.594834 -2.037846 -0.898788
H -5.359228 -3.061340 1.656361
H -3.594675 -3.476739 1.244427
H -4.034531 -3.269230 -1.206105
H -5.821922 -2.846099 -0.911542
H -3.943805 0.334350 -3.219960
H -2.917807 -1.172778 -2.872127
H -1.973353 1.789291 -2.297932
H -1.031435 0.222355 -1.974659
H 1.842006 3.026913 1.788672
H 2.436378 1.359888 2.006140
H -1.643667 -0.072468 3.408684
H -1.361003 -1.560127 2.466939
H 0.114957 1.949999 3.026370
H -0.520973 2.015273 1.366900
H 0.769600 -0.439639 2.737020
H 0.311081 -0.411140 1.033611
H 1.321882 3.844406 -0.477469
H 0.048324 2.624316 -0.819117
H 1.518013 2.707069 -1.854112
H -3.975093 0.745777 2.770676
H -2.784535 1.961940 2.185366
H -4.031634 1.323771 1.072101


