%chk=000216878.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216878

0 1
P 3.926132 -0.327177 -1.129950
O 0.875145 0.558451 1.639816
O 2.662161 -1.394895 -0.807433
O 3.188875 1.162718 -1.118670
O 1.300107 -2.654567 1.258617
O 4.099509 -0.461121 -2.743441
O 5.093379 -0.562862 -0.293335
N -1.310484 -0.219345 1.425814
N -3.395206 0.616794 1.950882
N -1.430983 0.066461 -1.073161
N -3.572490 0.998066 -1.811066
N -5.308798 1.582225 -0.315025
C 1.539850 -0.700450 -0.257963
C 2.033138 0.310796 0.814863
C 0.614264 -1.628422 0.553230
C 0.063454 -0.662520 1.659217
C 2.546116 1.569651 0.118580
C -1.906267 0.158563 0.210491
C -2.269969 0.116746 2.454945
C -3.210201 0.658760 0.556008
C -4.050761 1.087765 -0.513960
C -2.317272 0.501801 -2.015771
H 0.961936 -0.221041 -1.092212
H 2.799153 -0.132954 1.502567
H -0.180165 -2.114585 -0.054348
H 0.171644 -1.092506 2.685740
H 1.731649 2.243900 -0.217695
H 3.280064 2.142871 0.715613
H 2.172000 -2.848838 0.819669
H -2.049591 -0.054568 3.500794
H 3.368349 -0.092936 -3.314747
H -1.985693 0.449112 -3.067928
H -5.878899 1.874967 -1.094041
H -5.684546 1.660637 0.618600


%chk=000216878-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216878

0 1
P 4.070102 -0.501208 -1.171913
O 0.855981 0.713921 1.567120
O 2.638335 -1.474768 -0.799522
O 3.389384 1.111083 -1.149854
O 1.396891 -2.488492 1.430267
O 4.312179 -0.654106 -2.848906
O 5.341212 -0.867947 -0.318476
N -1.373372 -0.150273 1.421835
N -3.535862 0.425122 1.949038
N -1.427208 0.324874 -1.031383
N -3.633574 1.133845 -1.760013
N -5.450461 1.417974 -0.276063
C 1.524124 -0.671562 -0.242407
C 2.043754 0.372056 0.771154
C 0.612037 -1.550141 0.634424
C 0.012225 -0.524515 1.646384
C 2.633131 1.593130 0.056388
C -1.971327 0.264110 0.219879
C -2.362056 -0.017445 2.420169
C -3.304193 0.605704 0.570431
C -4.149435 1.057896 -0.485607
C -2.332555 0.769702 -1.957410
H 0.933008 -0.195060 -1.042631
H 2.810387 -0.109757 1.416205
H -0.168585 -2.066819 0.049271
H 0.096971 -0.949796 2.661879
H 1.839020 2.237931 -0.352317
H 3.321699 2.176560 0.687983
H 2.116208 -2.851994 0.846934
H -2.155765 -0.263319 3.460183
H 3.619894 -0.225378 -3.415583
H -1.970640 0.845859 -2.987057
H -6.009073 1.734855 -1.066170
H -5.846836 1.369452 0.660465


