%chk=000001462.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000001462

0 1
P -4.042320 -1.127251 0.373891
P -3.711924 1.643442 -0.890144
P -0.837368 1.869039 0.311151
O -0.130603 -1.147732 -0.561396
O -2.664888 -1.976954 0.428545
O -3.767852 -0.008091 -0.814160
O -4.981851 -2.160116 -0.480477
O -4.561065 -0.523431 1.600509
O 6.027986 0.666366 1.462210
O -2.469614 1.870744 0.159380
O -4.905528 2.103418 0.102626
O -3.659965 2.162532 -2.236915
O -0.657764 3.146512 1.289601
O -0.646877 0.647268 1.353316
O -0.057420 1.871020 -0.936742
N 2.186722 -0.832151 -0.746902
N 2.727826 1.641769 -0.860264
N 3.985299 -1.469242 0.536011
N 4.755287 2.230690 0.371517
N 3.391490 3.927157 -0.561747
C 0.936810 -0.925027 -1.513862
C -0.632024 -2.515373 -0.609004
C 0.913814 -2.129642 -2.469412
C 0.123200 -3.227281 -1.741905
C -2.137449 -2.387858 -0.873786
C 2.930190 0.324297 -0.448285
C 2.893791 -1.908132 -0.089549
C 4.039433 -0.088435 0.328583
C 5.046807 0.883012 0.802428
C 3.691628 2.574197 -0.322294
H 0.683398 0.065089 -1.979924
H -0.435110 -2.930559 0.404655
H 0.423712 -1.847526 -3.421601
H 1.930106 -2.468536 -2.748484
H -0.551814 -3.760514 -2.435529
H 0.799423 -4.004115 -1.336080
H -2.608633 -3.359865 -1.121626
H -2.347112 -1.634737 -1.662619
H 2.535016 -2.922690 -0.132684
H 1.804557 1.949650 -1.218803
H 4.133533 4.582400 -0.318139
H 2.906193 4.166915 -1.415665
H -5.935342 -1.930952 -0.625166
H -4.854907 1.800914 1.070533
H -1.007516 3.054014 2.226702
H -0.390174 -0.277835 0.990906


%chk=000001462-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001462

0 1
P -4.133679 -0.897336 0.015960
P -3.963250 2.132922 -0.804552
P -0.942130 2.113531 0.300973
O 0.032825 -1.303198 -0.215387
O -2.760288 -1.820928 0.349021
O -3.628129 0.389434 -1.032594
O -4.936485 -1.971409 -1.043252
O -4.922197 -0.325417 1.274878
O 6.527017 0.660577 0.745770
O -2.578019 2.619912 0.090744
O -5.187293 2.183813 0.351426
O -4.219301 2.874961 -2.159810
O -0.499142 3.229631 1.493108
O -1.110683 0.607621 0.987304
O 0.031056 2.204231 -0.955134
N 2.402564 -0.984827 -0.773098
N 2.670023 1.503915 -0.605506
N 4.487488 -1.568955 -0.010988
N 4.852110 2.220362 0.195053
N 3.182535 3.784625 -0.325868
C 1.065877 -1.095137 -1.314894
C -0.585812 -2.661451 -0.295207
C 0.841744 -2.306577 -2.244455
C 0.270771 -3.424499 -1.332417
C -2.045097 -2.550899 -0.740263
C 3.094425 0.199555 -0.475766
C 3.321092 -2.034438 -0.452508
C 4.370091 -0.160779 -0.020420
C 5.354246 0.884483 0.341857
C 3.622733 2.481013 -0.227526
H 0.790186 -0.134564 -1.781076
H -0.533292 -3.089996 0.719155
H 0.108927 -2.030863 -3.021735
H 1.773605 -2.602565 -2.749366
H -0.324174 -4.156004 -1.904992
H 1.075272 -3.978716 -0.822839
H -2.502811 -3.551029 -0.831106
H -2.139167 -2.005620 -1.697022
H 3.068309 -3.084510 -0.567854
H 1.693178 1.776920 -0.843873
H 3.836603 4.508620 -0.040367
H 2.227316 4.022967 -0.585062
H -5.796006 -1.666001 -1.431182
H -5.218857 1.376736 0.982205
H -1.190513 3.457952 2.166167
H -0.612567 -0.211660 0.531899


