%chk=000000845.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000845

0 1
P -2.787804 0.800948 0.205538
O -1.877058 -0.642563 0.108434
O -3.286933 1.108340 -1.411847
O -1.595596 2.041237 0.295935
O -3.890065 0.766076 1.340129
N -0.607948 -3.107013 -0.078880
N 3.302546 -0.433771 -0.089397
N 2.985807 1.745895 -0.549995
C 0.112047 -1.891369 -0.482558
C 1.004211 -1.262268 0.654328
C -0.908606 -0.879720 -1.016959
C 1.949216 -0.186376 0.189511
C 1.783238 1.169210 -0.108569
C 3.882513 0.752796 -0.524671
H 0.773351 -2.140142 -1.338392
H 0.324447 -0.866276 1.430239
H 1.572835 -2.089350 1.123575
H -0.426237 0.068409 -1.309832
H -1.476142 -1.308353 -1.858488
H -0.015795 -3.884516 0.223607
H -1.390526 -2.921645 0.556079
H 3.775888 -1.328324 0.035123
H 0.870988 1.759736 -0.042385
H 4.930830 0.840469 -0.799119
H -4.218284 0.832308 -1.605918
H -1.495221 2.431563 1.201013


%chk=000000845-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000000845

0 1
P -2.739827 0.792078 0.278778
O -1.801569 -0.618163 0.153213
O -3.469285 1.079216 -1.270075
O -1.497859 1.972599 0.188350
O -3.734207 0.782618 1.505554
N -0.615737 -3.118800 -0.164017
N 3.286873 -0.462421 -0.179994
N 2.971565 1.772724 -0.265808
C 0.140582 -1.902940 -0.500495
C 1.043944 -1.360632 0.671075
C -0.845196 -0.834334 -0.986713
C 1.972791 -0.244700 0.278931
C 1.806203 1.145254 0.212014
C 3.847353 0.774979 -0.490260
H 0.796754 -2.126389 -1.367673
H 0.373335 -1.020252 1.479858
H 1.619264 -2.219274 1.071300
H -0.332811 0.112945 -1.224642
H -1.428126 -1.204128 -1.846163
H -0.040823 -3.919375 0.112923
H -1.388584 -2.939715 0.485545
H 3.749657 -1.368747 -0.242097
H 0.916380 1.716238 0.470914
H 4.863652 0.895128 -0.858406
H -4.411317 0.778302 -1.338581
H -1.791309 2.893091 -0.027031


