%chk=000001006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000001006

-1 1
P -2.714557 -0.178222 0.404980
O -1.842313 -0.676174 -0.944982
O 1.124687 -1.724295 -0.901650
O -2.978510 1.427639 -0.031097
O -1.700858 -0.113809 1.562137
O 0.220003 1.529469 1.761749
O 2.262236 2.241170 1.379329
O -3.996247 -0.915068 0.456659
N 2.049109 1.057918 -1.182761
C 0.488969 -0.607379 -0.226621
C 1.648553 0.354426 0.072959
C -0.592983 0.004309 -1.135993
C 1.356350 1.453454 1.128080
H 0.061835 -1.011684 0.728151
H 2.483652 -0.269342 0.500769
H -0.363381 -0.176455 -2.203989
H -0.693918 1.099925 -0.988390
H 2.473653 0.386564 -1.817168
H 2.745706 1.771705 -0.966979
H 0.427764 -2.337853 -1.215124
H -3.871166 1.629504 -0.370148
H -0.672984 0.790299 1.555390


%chk=000001006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001006

-1 1
P -2.797492 -0.179872 0.430646
O -1.841435 -0.518092 -1.037312
O 1.000363 -1.705948 -1.074231
O -3.548455 1.354123 -0.009500
O -1.744257 0.221799 1.599421
O 0.330070 1.515653 1.784101
O 2.342611 2.380230 1.132547
O -3.889442 -1.329590 0.590391
N 2.386553 0.824122 -1.129547
C 0.503691 -0.545785 -0.289930
C 1.732221 0.287616 0.078420
C -0.554492 0.221509 -1.098252
C 1.450906 1.483949 1.040010
H 0.034315 -0.921905 0.638894
H 2.399250 -0.392547 0.669378
H -0.276007 0.249919 -2.163105
H -0.679518 1.257574 -0.732700
H 2.770990 0.086985 -1.726824
H 3.046824 1.571742 -0.887132
H 0.194220 -2.218642 -1.341819
H -4.367958 1.199015 -0.545948
H -0.577357 0.894246 1.637798


