%chk=000191502.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191502

0 1
P -3.995902 -0.082025 1.089554
O -0.732817 0.669457 0.581906
O 1.655678 2.668926 -0.006302
O -0.344232 3.678710 -1.146570
O -3.757028 1.109293 -0.016780
O 3.028794 -0.363011 -0.795724
O -2.891837 0.160332 2.260328
O -3.299404 -1.383053 0.300155
O -5.376357 -0.264375 1.519401
N 0.818604 -0.844111 -0.383155
N 2.327484 -2.497453 -1.380209
N 1.523234 -4.600364 -1.971458
C 1.003603 1.651283 -0.768598
C -0.353773 2.268778 -1.205308
C -1.400472 1.701463 -0.211613
C 0.648616 0.512521 0.226163
C -2.610609 1.052719 -0.886934
C 3.106876 2.747511 -0.217895
C -0.222078 -1.755221 -0.413904
C 2.179706 -1.225698 -0.876167
C -0.030189 -3.012509 -0.930981
C 3.557401 3.743422 0.829590
C 1.277592 -3.364156 -1.419518
H 1.625141 1.314880 -1.624993
H -0.597416 2.045708 -2.267438
H -1.712226 2.471574 0.535107
H 1.218255 0.574337 1.186343
H -2.404573 0.020832 -1.233997
H -2.963701 1.669766 -1.745688
H 0.304464 3.998785 -0.449820
H 3.536177 1.735667 -0.074898
H 3.279238 3.094451 -1.250380
H -1.205237 -1.442724 -0.011970
H -0.845246 -3.726001 -0.965092
H 4.648389 3.860448 0.818173
H 3.110004 4.733066 0.670009
H 3.265867 3.420898 1.839075
H 2.456900 -4.845295 -2.273882
H 0.828941 -5.324699 -1.963617
H -1.918942 0.226444 2.002973
H -3.829326 -2.213379 0.251014


%chk=000191502-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191502

0 1
P -3.830822 -0.158544 1.375128
O -0.766737 0.627165 0.533734
O 1.529409 2.722590 -0.132741
O -0.358503 3.394514 -1.856394
O -3.715854 1.343096 0.498104
O 3.101320 -0.543198 -0.217230
O -2.439184 -0.240698 2.328032
O -3.491996 -1.321351 0.102499
O -5.206075 -0.366619 2.113966
N 0.805772 -0.937615 -0.414435
N 2.419379 -2.623385 -1.086427
N 1.695400 -4.660556 -1.925281
C 0.993507 1.558313 -0.832054
C -0.381690 2.026377 -1.390517
C -1.345865 1.810378 -0.193707
C 0.641119 0.423399 0.168637
C -2.773681 1.497457 -0.632153
C 3.017724 2.724803 0.002940
C -0.247039 -1.775719 -0.721555
C 2.199773 -1.366183 -0.567681
C -0.003253 -3.035747 -1.234753
C 3.387322 3.922405 0.871128
C 1.378363 -3.425727 -1.412963
H 1.687522 1.206766 -1.615176
H -0.683011 1.401406 -2.250410
H -1.314575 2.676264 0.491752
H 1.276565 0.491301 1.067316
H -2.799504 0.594082 -1.270394
H -3.162889 2.363927 -1.193867
H 0.313140 3.859542 -1.279080
H 3.336958 1.762872 0.442158
H 3.455696 2.802075 -1.013437
H -1.261362 -1.420257 -0.516615
H -0.833911 -3.704008 -1.468076
H 4.484994 3.973036 0.987566
H 3.044375 4.867815 0.415106
H 2.936200 3.834306 1.874370
H 2.682080 -4.897860 -2.018970
H 0.981391 -5.333148 -2.190966
H -1.604484 0.070614 1.823715
H -4.237973 -1.956691 -0.044368


