%chk=000147700.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147700

0 1
 P  -3.1800002E-02 -7.3000002E-03  0.4413000    
 O   0.2037000      8.0600001E-02   1.937800    
 O   9.7499996E-02   2.660000       1.754800    
 N   -1.106400      -1.229700      4.1000001E-02
 N    1.414300     -0.3542000     -0.3646000    
 N  -0.6131000       1.431800     -0.2026000    
 C   -2.457800      -1.195400      0.5984000    
 C   -1.140200      -1.822200      -1.293100    
 C    2.522700      0.5898000     -0.1657000    
 C    1.947100      -1.715900     -0.2245000    
 C  -0.8166000       1.590100      -1.644400    
 C  -0.1756000       2.715900      0.3583000    
 C   -2.462600     -0.5839000       1.989200    
 C   -1.680300      -3.241700      -1.249800    
 C    3.621400      0.3705000      -1.191700    
 C    2.550700      -1.930200       1.153200    
 C   -1.873100       2.641800      -1.937500    
 H   -2.878900      -2.199200      0.7059000    
 H   -3.126700     -0.6084000     -4.2100001E-02
 H  -0.1665000      -1.831100      -1.785400    
 H   -1.795400      -1.248200      -1.956600    
 H    2.155700       1.598700     -0.3541000    
 H    2.909500      0.6109000      0.8577000    
 H    2.666900      -1.963900      -1.011300    
 H    1.165900      -2.469300     -0.3379000    
 H   -1.160900      0.6613000      -2.090700    
 H   0.1245000       1.840600      -2.148000    
 H   0.7215000       3.100100     -0.1344000    
 H  -0.9556000       3.475900      0.2627000    
 H   -3.471900     -0.6749000       2.409100    
 H   -2.241000      0.4863000       1.986200    
 H   -1.798400      -1.117200       2.676400    
 H   -1.482700      -3.734600      -2.208600    
 H   -2.763900      -3.279800      -1.102900    
 H   -1.191100      -3.838300     -0.4723000    
 H    4.292000       1.237500      -1.198600    
 H    3.217200      0.2676000      -2.204800    
 H    4.243600     -0.5006000     -0.9665000    
 H    2.819800      -2.988600       1.256600    
 H    1.855000      -1.713900       1.966200    
 H    3.476800      -1.372200       1.315300    
 H   -2.772800       2.493500      -1.330600    
 H   -1.505000       3.661500      -1.789400    
 H   -2.175200       2.571600      -2.988700    
 H  -0.6869000       2.273400       2.178900    


%chk=000147700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147700

0 1
P 0.068569 0.114724 0.621529
O 0.154688 0.442946 2.204829
O 0.611865 3.159591 1.463123
N -1.077810 -1.178095 0.330466
N 1.507799 -0.433108 -0.229983
N -0.344535 1.619921 -0.200371
C -2.001428 -1.515253 1.446250
C -1.529809 -1.418589 -1.062743
C 2.647968 0.532229 -0.263082
C 1.876047 -1.874499 -0.134904
C -0.056888 1.911975 -1.623614
C -0.579981 2.755192 0.715362
C -3.341453 -0.745207 1.430763
C -1.942601 -2.882328 -1.309310
C 3.420251 0.489032 -1.595793
C 2.536357 -2.290701 1.200589
C -1.318949 2.279200 -2.431181
H -1.460748 -1.294280 2.383369
H -2.186989 -2.605862 1.419402
H -0.687770 -1.162514 -1.733418
H -2.373124 -0.744962 -1.333122
H 2.244027 1.547097 -0.092182
H 3.344466 0.332787 0.577509
H 2.548447 -2.099719 -0.983992
H 0.954848 -2.462947 -0.281049
H 0.427277 1.022701 -2.065072
H 0.680704 2.740296 -1.684342
H -0.868562 3.628762 0.109863
H -1.394387 2.493862 1.418127
H -3.965959 -1.060765 2.287016
H -3.919126 -0.932478 0.506868
H -3.167218 0.342327 1.518051
H -2.187312 -3.026907 -2.377564
H -2.834888 -3.162501 -0.722054
H -1.123651 -3.573884 -1.042218
H 4.222349 1.250013 -1.588575
H 2.750929 0.698260 -2.448466
H 3.896229 -0.493439 -1.765731
H 2.727708 -3.379984 1.202998
H 1.873662 -2.049110 2.050462
H 3.502400 -1.780898 1.365676
H -2.042785 1.444926 -2.429358
H -1.822543 3.167290 -2.008270
H -1.051036 2.510525 -3.479670
H 0.758362 2.423074 2.126009


