%chk=000258366.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258366

0 1
P -0.027945 2.457318 -0.317176
O -0.018191 -0.718960 -0.314808
O -0.021676 2.736664 -1.966986
O -0.029049 3.740652 0.427773
O -2.567025 -3.046266 -0.885550
O 3.154515 -3.069280 -0.097992
O -1.712556 -2.889126 1.101248
O 1.092006 -2.814185 -0.707276
N -2.169717 -2.425858 0.077832
N 2.167073 -2.392128 -0.333087
C -1.437003 1.309788 -0.106073
C 1.384208 1.314312 -0.107610
C -1.233978 -0.064628 -0.126789
C 1.193984 -0.060742 -0.198978
C -2.716405 1.839268 0.058989
C 2.657531 1.847518 0.082509
C -2.327901 -0.941693 0.028776
C 2.309344 -0.932205 -0.164432
C -3.818979 0.977874 0.186019
C 3.772836 0.993307 0.162049
C -3.615330 -0.412575 0.162800
C 3.590336 -0.389060 0.023841
C -5.199722 1.518951 0.344286
C 5.141823 1.548764 0.368381
H -2.878115 2.923680 0.095361
H 2.807427 2.930994 0.177226
H -4.471299 -1.089447 0.256599
H 4.449855 -1.073809 0.063353
H -0.032278 3.696272 -2.227281
H -5.225243 2.615842 0.408712
H -5.841816 1.235738 -0.504507
H -5.683007 1.138759 1.257479
H 5.747610 0.921175 1.039215
H 5.688158 1.621869 -0.585317
H 5.129431 2.555316 0.810015


%chk=000258366-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258366

0 1
P -0.035099 2.442246 -0.367070
O -0.029021 -0.735400 -0.415501
O -0.082840 2.742605 -2.091982
O -0.012319 3.814576 0.459221
O -3.185350 -3.116576 -0.495801
O 3.088838 -3.127655 0.302190
O -1.260053 -2.921969 0.718631
O 1.454345 -2.865540 -1.272206
N -2.250118 -2.426188 0.066561
N 2.277116 -2.406608 -0.399422
C -1.451023 1.296530 -0.129038
C 1.391038 1.297828 -0.169281
C -1.250820 -0.102504 -0.162032
C 1.209996 -0.100930 -0.282281
C -2.744949 1.829079 0.079724
C 2.677372 1.836787 0.065783
C -2.381210 -0.946443 0.003010
C 2.359342 -0.934598 -0.211581
C -3.875245 0.993405 0.214852
C 3.815271 1.008576 0.183252
C -3.668439 -0.408230 0.160340
C 3.630395 -0.388320 0.032418
C -5.266233 1.562007 0.412472
C 5.192486 1.582195 0.450326
H -2.858120 2.918127 0.133450
H 2.774967 2.923630 0.172509
H -4.509002 -1.103376 0.254962
H 4.476264 -1.078539 0.113871
H 0.003170 3.710309 -2.295308
H -5.251393 2.663799 0.442935
H -5.942082 1.254978 -0.406805
H -5.715122 1.203436 1.356895
H 5.628651 1.158826 1.373621
H 5.889941 1.350011 -0.375510
H 5.158148 2.678024 0.565396


