%chk=000257850.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257850

0 1
P -4.683178 -0.673860 -0.456266
O -4.368986 0.784495 -1.191170
O -4.600301 -1.779430 -1.426186
N -6.233090 -0.532864 0.353534
N -3.590427 -0.682906 0.921855
C -6.156283 1.976522 0.007553
C -6.481979 0.804724 0.950261
C -4.687075 1.962749 -0.418399
C -2.187518 -0.817049 0.707704
C 2.901146 -0.056707 0.124896
C 4.374715 -0.128014 -0.045818
C 0.607132 -0.979687 0.438247
C 4.859023 1.215387 -0.194020
C 2.064668 -1.090069 0.299923
C -1.420325 -1.517044 1.665285
C -1.547191 -0.201468 -0.387474
C -0.037543 -1.596143 1.524239
C -0.162897 -0.290227 -0.513866
C 2.574036 1.396081 0.073527
C 3.699364 2.125664 -0.109715
C 5.248546 -1.199350 -0.083011
C 6.207608 1.466047 -0.375859
C 6.621211 -0.936116 -0.268220
C 7.090278 0.367984 -0.411536
H -6.391008 2.937848 0.504897
H -6.808304 1.943810 -0.889707
H -5.879976 0.888804 1.888187
H -7.546220 0.865272 1.272742
H -4.460531 2.773284 -1.141462
H -3.990530 2.038815 0.439814
H -7.046766 -0.873838 -0.193124
H -3.931615 -1.132887 1.792176
H 2.451992 -2.112991 0.352145
H -1.903298 -1.999894 2.510793
H -2.114214 0.346807 -1.144172
H 1.564818 1.751864 0.187702
H 0.549235 -2.137824 2.266337
H 0.329440 0.175063 -1.369822
H 3.794014 3.193695 -0.185616
H 4.897148 -2.221915 0.025546
H 6.583918 2.478925 -0.489319
H 7.320481 -1.769894 -0.299459
H 8.154585 0.548138 -0.554142


%chk=000257850-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257850

0 1
P -4.805109 -0.381258 -0.871739
O -4.440963 1.330572 -0.898918
O -4.799864 -1.002432 -2.329547
N -6.289602 -0.521323 0.011081
N -3.694642 -0.998422 0.339106
C -6.241287 1.898577 0.758891
C -6.582047 0.430056 1.120150
C -4.762492 2.072651 0.357387
C -2.283157 -0.914568 0.330483
C 2.966928 0.147925 -0.098100
C 4.441964 0.001235 0.055853
C 0.585096 -0.738052 0.392566
C 5.069229 1.061829 -0.682432
C 2.043200 -0.693445 0.495890
C -1.542120 -1.551619 1.364172
C -1.578079 -0.217100 -0.690823
C -0.141351 -1.468048 1.382475
C -0.178227 -0.133221 -0.653404
C 2.772150 1.343008 -0.944784
C 4.002873 1.879671 -1.281169
C 5.226782 -0.945049 0.740754
C 6.473647 1.175766 -0.728231
C 6.640258 -0.826691 0.696406
C 7.257195 0.222169 -0.030472
H -6.446093 2.543711 1.635888
H -6.885670 2.241579 -0.071778
H -6.007344 0.131482 2.019544
H -7.652078 0.331360 1.372405
H -4.527399 3.119974 0.109867
H -4.086231 1.727906 1.166001
H -7.080900 -0.891516 -0.519334
H -4.119193 -1.646283 1.007899
H 2.462367 -1.453249 1.174056
H -2.067885 -2.111958 2.147143
H -2.126059 0.244661 -1.518279
H 1.806986 1.771243 -1.213690
H 0.412405 -1.965883 2.188047
H 0.334709 0.365394 -1.479309
H 4.169788 2.778040 -1.880444
H 4.768157 -1.767607 1.302726
H 6.954743 1.982879 -1.292439
H 7.262752 -1.554973 1.228449
H 8.350661 0.292811 -0.053352


