%chk=000298019.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298019

0 1
P 1.939571 -0.864552 0.615217
O 2.670226 0.354846 -0.247285
O 2.936887 -1.144387 1.895363
O 1.647190 -2.113808 -0.128120
O 0.681185 0.853581 2.173192
C -0.887001 -0.032683 0.610337
C 0.425867 0.118182 1.244689
C -3.453361 -0.199898 -0.533559
C -1.867250 0.939631 0.901184
C -1.210306 -1.095150 -0.252602
C -3.134459 0.861822 0.332222
C -2.482335 -1.174922 -0.817576
C -4.806804 -0.281505 -1.156043
C 3.574289 -0.109125 -1.279171
C 3.425287 0.023230 2.602238
H -1.614567 1.757194 1.583222
H -0.476686 -1.881128 -0.488798
H -3.879578 1.621617 0.560010
H -2.721352 -2.002996 -1.483579
H -5.588212 0.162772 -0.524034
H -4.825021 0.256574 -2.116900
H -5.112939 -1.316670 -1.362439
H 3.139888 -0.919159 -1.882456
H 4.526791 -0.413087 -0.827514
H 3.712887 0.790893 -1.895872
H 3.927695 0.725059 1.925948
H 4.147061 -0.418049 3.304528
H 2.605150 0.510517 3.153199


%chk=000298019-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298019

0 1
P 1.890619 -0.846635 0.539298
O 2.825195 0.355433 -0.324950
O 2.776594 -1.166859 1.998961
O 1.649924 -2.201875 -0.270132
O 0.708973 1.218764 1.908236
C -0.932882 0.100473 0.512971
C 0.406522 0.322597 1.083953
C -3.575891 -0.224008 -0.510967
C -1.964537 1.020519 0.869955
C -1.235445 -0.987442 -0.354838
C -3.261149 0.857433 0.362251
C -2.544846 -1.138294 -0.851523
C -4.973967 -0.377148 -1.074535
C 3.847791 -0.127704 -1.283997
C 3.476008 -0.086795 2.737603
H -1.720539 1.848347 1.543861
H -0.456906 -1.711380 -0.625050
H -4.047495 1.568965 0.640647
H -2.773301 -1.981305 -1.513479
H -5.743601 -0.133697 -0.320634
H -5.127960 0.310960 -1.928715
H -5.156766 -1.402103 -1.438615
H 3.503813 -1.045351 -1.794989
H 4.799489 -0.325408 -0.758987
H 3.975978 0.690981 -2.008125
H 3.999409 0.593731 2.042467
H 4.199555 -0.610874 3.381334
H 2.755516 0.487473 3.343401


