%chk=000227733.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227733

0 1
P 0.027611 -1.376783 -0.069695
O -1.175044 -1.282086 -1.177337
O -0.621380 -0.818766 1.332054
O 0.904166 -0.046545 -0.575657
O 0.703119 -2.666752 0.037943
C -2.500985 0.348612 0.168079
C -3.116980 1.766289 0.066778
C -3.547125 -0.718839 0.560299
C -1.887709 -0.019031 -1.206814
C -1.365492 0.417217 1.222612
C -4.232048 1.891282 -0.966087
C -4.244853 -0.457835 1.890910
C 2.222733 0.115587 -0.177115
C 3.144267 -0.933176 -0.075733
C 2.579497 1.455991 0.044906
C 4.461226 -0.615948 0.268735
C 3.903077 1.741615 0.380623
C 4.843047 0.710400 0.496452
H -2.321405 2.503287 -0.164437
H -3.512687 2.055455 1.062817
H -3.053197 -1.713678 0.597027
H -4.304713 -0.798110 -0.245243
H -2.668386 -0.227247 -1.966245
H -1.209798 0.766031 -1.595431
H -0.653052 1.242325 1.026856
H -1.769377 0.523413 2.250968
H -3.870413 1.744268 -1.989716
H -5.033311 1.161924 -0.790316
H -4.689410 2.888074 -0.927156
H -3.533932 -0.443601 2.726742
H -4.788031 0.493542 1.892986
H -4.973232 -1.249649 2.107459
H 2.859769 -1.975578 -0.253827
H 1.834233 2.238761 -0.057830
H 5.196343 -1.416815 0.357323
H 4.204575 2.774154 0.554581
H 5.872000 0.941312 0.762590


%chk=000227733-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227733

0 1
P 0.048074 -1.341858 -0.133091
O -1.186091 -1.134891 -1.309244
O -0.667919 -0.752823 1.331405
O 1.101690 -0.039869 -0.639723
O 0.647987 -2.793498 -0.017341
C -2.609025 0.394370 0.149197
C -3.308561 1.792700 0.119609
C -3.588504 -0.767330 0.498304
C -1.978582 0.138230 -1.248411
C -1.465656 0.507813 1.195642
C -4.520337 1.921393 -0.830434
C -4.321567 -0.643099 1.850865
C 2.449151 0.131527 -0.199265
C 3.279701 -0.949105 0.173785
C 2.923775 1.460799 -0.214023
C 4.613753 -0.672869 0.550921
C 4.262852 1.714284 0.155458
C 5.111195 0.650510 0.543364
H -2.555050 2.560757 -0.154031
H -3.634855 2.040178 1.149027
H -3.024424 -1.718346 0.481911
H -4.335075 -0.845476 -0.316469
H -2.746471 -0.022156 -2.021135
H -1.315233 0.973417 -1.546843
H -0.777269 1.335037 0.931224
H -1.855117 0.670627 2.212807
H -4.245421 1.744639 -1.885892
H -5.325313 1.213198 -0.566079
H -4.942115 2.940776 -0.768411
H -3.617140 -0.643215 2.702037
H -4.937070 0.273338 1.912098
H -4.997924 -1.505113 1.992693
H 2.896161 -1.974398 0.167656
H 2.250733 2.268293 -0.518166
H 5.265431 -1.502784 0.845210
H 4.639344 2.743031 0.142218
H 6.147975 0.851011 0.833228


