%chk=000124726.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000124726

0 1
P 4.445476 -0.912100 -0.993463
O 0.561217 1.798433 -0.737630
O -0.449074 3.658406 1.730935
O 2.025556 3.293203 1.753587
O 3.645763 0.425007 -0.535096
O 3.421057 -1.622252 -2.080984
O 4.157205 -1.885940 0.305347
O 5.826095 -0.759460 -1.453000
N -1.314809 0.596872 0.041136
N -2.761049 -1.067779 -0.718522
N -0.097530 -0.774859 1.758940
N -2.889683 1.203935 -1.731762
N -0.916760 -3.077429 1.902966
N -2.659276 -3.914398 0.540964
N -3.779228 0.927030 -2.584373
N -4.559420 0.894250 -3.401314
C -0.161271 2.292949 1.506308
C 1.374991 2.037789 1.519615
C -0.613103 1.902243 0.067506
C 1.760494 1.648330 0.077259
C 2.266352 0.213711 -0.091588
C -1.024998 -0.573527 0.767524
C -2.371400 0.217727 -0.859373
C -1.932521 -1.583803 0.293979
C -1.850631 -2.873199 0.902472
C -0.107890 -2.040104 2.269845
H -0.715457 1.761090 2.310460
H 1.680095 1.293621 2.282361
H -1.247135 2.675241 -0.439247
H 2.485184 2.379718 -0.369135
H 1.684520 -0.318035 -0.875124
H 2.280186 -0.371597 0.849879
H 0.242311 4.235593 1.293680
H 1.996293 3.515016 2.713264
H 0.620941 -2.256362 3.071249
H -3.345456 -3.798196 -0.189335
H -2.573791 -4.814127 0.988915
H 3.725047 -1.696997 -3.017948
H 4.717700 -2.692301 0.413802


%chk=000124726-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124726

0 1
P 5.261786 -0.303820 -0.078864
O 0.359834 1.115829 -1.077537
O -0.056199 3.580541 0.937449
O 2.229027 2.555898 1.723093
O 3.818115 0.588970 0.082485
O 5.689724 -0.275497 -1.758477
O 4.624053 -1.889008 -0.004042
O 6.390045 0.165282 0.921751
N -1.643479 0.413771 0.039925
N -3.546287 -0.881961 -0.192045
N -0.243112 -1.204366 1.324169
N -3.480776 1.379834 -1.180848
N -1.427489 -3.314271 1.763802
N -3.637013 -3.721946 1.030107
N -4.654140 1.307525 -1.656732
N -5.710600 1.430729 -2.169840
C -0.081701 2.129789 1.098711
C 1.361937 1.569592 1.083321
C -0.736011 1.546992 -0.181500
C 1.658583 1.404909 -0.428017
C 2.596250 0.235443 -0.718353
C -1.378574 -0.808345 0.683343
C -2.951617 0.293921 -0.470294
C -2.563023 -1.580661 0.530739
C -2.558501 -2.884318 1.107537
C -0.356465 -2.470391 1.834586
H -0.635784 1.846670 2.012565
H 1.394255 0.592500 1.593424
H -1.323874 2.334530 -0.681507
H 2.069661 2.351831 -0.829783
H 2.863934 0.156059 -1.786148
H 2.179718 -0.713784 -0.343647
H 0.800671 3.889138 1.346399
H 3.164846 2.239477 1.644611
H 0.519340 -2.856289 2.364295
H -4.482345 -3.423153 0.548487
H -3.577090 -4.642815 1.460021
H 6.380365 0.395945 -1.993420
H 5.227941 -2.616850 -0.295666


