%chk=000256579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256579

0 1
P 4.784887 0.762407 0.411314
O 4.684470 -0.881528 0.575276
O 6.047997 0.976252 -0.653111
O 4.934133 1.418869 1.725705
O -2.733528 -1.770570 -1.402739
O -3.629935 2.511950 0.113779
N -2.889962 0.488324 -0.802572
C 0.889236 1.137096 -1.022418
C -0.435426 0.648509 -0.425604
C 2.071095 0.802197 -0.096666
C -1.605366 0.960572 -1.371368
C 3.385052 1.278702 -0.705556
C -3.328079 -0.882547 -0.850552
C -3.792483 1.333602 -0.062170
C -4.629145 -0.895923 -0.096813
C -4.904101 0.419557 0.372046
C -5.490602 -1.939964 0.159326
C -6.041192 0.695888 1.099001
C 4.775266 -1.678008 -0.638307
C 7.360616 1.140247 -0.055144
C -6.659863 -1.659645 0.907032
C -6.928102 -0.375293 1.365016
C 5.272822 -3.028645 -0.153545
C 7.961097 -0.206436 0.308554
H 1.049778 0.678098 -2.017173
H 0.847800 2.230656 -1.194418
H -0.389241 -0.442615 -0.232757
H -0.607964 1.122977 0.561020
H 2.085136 -0.293352 0.092155
H 1.899870 1.277470 0.895051
H -1.455406 0.463571 -2.357382
H -1.686076 2.058311 -1.550316
H 3.392810 2.383107 -0.816903
H 3.534473 0.883320 -1.728012
H -5.283965 -2.949372 -0.198519
H -6.255521 1.702685 1.459990
H 3.754949 -1.743261 -1.063847
H 5.471742 -1.220454 -1.368128
H 7.912538 1.631202 -0.882342
H 7.307789 1.827477 0.813611
H -7.355368 -2.472508 1.122153
H -7.834349 -0.178658 1.940227
H 6.307319 -2.968991 0.207791
H 4.669632 -3.378465 0.698178
H 5.223216 -3.786831 -0.941479
H 7.477052 -0.659561 1.186272
H 7.866412 -0.922871 -0.517192
H 9.027286 -0.110249 0.546534


%chk=000256579-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256579

0 1
P 4.858204 0.723517 0.349099
O 4.876365 -1.010737 0.580844
O 6.166238 1.060233 -0.758819
O 4.947216 1.469868 1.750364
O -3.033106 -1.704796 -1.659587
O -3.517291 2.477231 0.449881
N -2.975107 0.488644 -0.739519
C 0.849800 1.012987 -1.004352
C -0.490345 0.543104 -0.397835
C 2.058091 0.629756 -0.119932
C -1.687154 0.921332 -1.300418
C 3.390601 1.089638 -0.747203
C -3.545060 -0.800313 -0.953042
C -3.787810 1.299388 0.107107
C -4.830098 -0.805319 -0.179929
C -4.974595 0.452451 0.456016
C -5.796201 -1.812114 -0.036982
C -6.088602 0.745058 1.256037
C 5.038032 -1.913995 -0.590353
C 7.486301 1.443739 -0.176543
C -6.927804 -1.526439 0.771372
C -7.071715 -0.267752 1.408183
C 5.244694 -3.317401 -0.025215
C 8.291309 0.218254 0.268289
H 0.974696 0.569647 -2.014440
H 0.828493 2.113837 -1.141320
H -0.474916 -0.555146 -0.259233
H -0.630202 1.000566 0.600516
H 2.073080 -0.466997 0.034637
H 1.944213 1.087125 0.882308
H -1.580258 0.446761 -2.292880
H -1.736714 2.017766 -1.429201
H 3.402087 2.182762 -0.907206
H 3.578351 0.603321 -1.721397
H -5.675116 -2.780047 -0.533289
H -6.188911 1.720603 1.741909
H 4.124982 -1.869132 -1.220299
H 5.903989 -1.582569 -1.195033
H 7.981746 1.984329 -1.000092
H 7.314076 2.136894 0.668714
H -7.702638 -2.288510 0.907294
H -7.955410 -0.076673 2.026322
H 6.153800 -3.351778 0.598585
H 4.385325 -3.613550 0.599906
H 5.351271 -4.048563 -0.848276
H 7.781258 -0.310605 1.092650
H 8.435566 -0.484770 -0.571057
H 9.288069 0.535694 0.628416


