%chk=000191252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191252

0 1
P 2.601140 2.060293 0.369972
O 0.583649 -1.814964 1.265905
O 1.466811 -4.059613 -0.833334
O -1.003971 -4.124543 -0.420908
O 3.270753 2.767446 1.715860
O 1.075801 2.676529 0.442138
O 3.301804 2.321934 -0.906451
O -0.862452 3.036517 -1.452195
N -1.385834 -0.698786 0.591569
N -1.147054 0.125415 -0.464567
N -2.568445 1.165605 1.019999
N -3.132122 2.955627 -1.376554
C 1.603541 -1.935273 0.220321
C 0.943742 -2.729213 -0.932169
C -0.577705 -2.790586 -0.603739
C -0.720572 -2.024338 0.747616
C 2.074647 -0.548619 -0.225774
C 2.442374 0.310613 0.972663
C -2.249050 -0.046908 1.511350
C -1.862278 1.254061 -0.195099
C -1.874443 2.484911 -1.041600
H 2.399290 -2.522141 0.733857
H 1.148019 -2.311837 -1.937234
H -1.233126 -2.396981 -1.410859
H -1.266122 -2.603648 1.533498
H 1.274779 -0.070839 -0.840031
H 2.945312 -0.670226 -0.911106
H 1.658838 0.251227 1.763546
H 3.380101 -0.019960 1.460713
H 1.316257 -4.546456 -1.677530
H -0.282010 -4.662003 0.022320
H -2.583211 -0.477978 2.444762
H 3.417795 3.744252 1.673371
H 0.649947 2.972408 -0.439152
H -3.969661 2.605055 -0.935480
H -3.217743 3.828417 -1.879479


%chk=000191252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191252

0 1
P 2.686778 2.085857 -0.049379
O 0.475123 -1.742131 1.357582
O 1.106714 -4.360790 -0.058653
O -1.154975 -3.724255 -1.169714
O 3.893597 2.773213 0.988953
O 1.384487 3.113704 0.341005
O 3.052314 1.968313 -1.599238
O -0.920499 3.233895 -0.885694
N -1.546762 -0.766303 0.473499
N -1.010535 0.381657 -0.100839
N -3.232250 0.702609 0.491572
N -3.228889 3.251624 -0.610958
C 1.660668 -1.959838 0.459415
C 1.163298 -2.985159 -0.578264
C -0.331653 -2.602536 -0.785096
C -0.739130 -2.000120 0.607175
C 2.128175 -0.652579 -0.204517
C 2.442175 0.449084 0.822798
C -2.868145 -0.554733 0.820176
C -2.065418 1.242677 -0.057183
C -2.001669 2.648688 -0.550829
H 2.439194 -2.374712 1.124879
H 1.739996 -2.942050 -1.521058
H -0.433979 -1.836888 -1.570573
H -1.368031 -2.717658 1.163781
H 1.348475 -0.293940 -0.899372
H 3.027183 -0.862119 -0.815378
H 1.613382 0.576441 1.537502
H 3.370778 0.242824 1.382552
H 2.006832 -4.763896 -0.022591
H -0.714541 -4.536371 -0.789223
H -3.501015 -1.306531 1.282939
H 3.998555 3.752245 0.884077
H 0.547102 3.108118 -0.247456
H -4.054678 2.735368 -0.299644
H -3.293859 4.221691 -0.916045


