%chk=000108291.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000108291

0 1
P -3.466342 -0.002504 0.261760
O -3.293205 -0.159411 1.743489
O 1.748048 -0.091570 1.115915
N -4.359115 -1.352255 -0.476431
N -4.367166 1.434086 -0.222167
N 0.459210 0.222274 -0.770748
N 2.830787 0.343507 -0.906139
C -4.814191 -2.449357 0.432030
C -3.705031 -2.692550 -0.569114
C -5.796581 1.345995 -0.652316
C -5.436919 1.937921 0.693116
C -1.931590 0.123888 -0.719152
C -0.768042 0.094039 -0.064172
C 1.707348 0.140598 -0.075780
C 4.194341 0.296685 -0.458021
C 5.188615 0.525145 -1.432475
C 4.545964 0.036892 0.876076
C 6.531378 0.489430 -1.054659
C 5.896409 0.006448 1.228866
C 6.891167 0.230799 0.271969
H -5.824869 -2.822930 0.237797
H -4.598057 -2.427090 1.509356
H -2.679108 -2.868079 -0.234015
H -3.911470 -3.237090 -1.497800
H -6.326392 0.391275 -0.729091
H -6.055518 2.002772 -1.491171
H -5.438109 3.025114 0.836714
H -5.691127 1.425677 1.627406
H -2.065482 0.261020 -1.786418
H -0.646207 -0.033709 1.031744
H 0.418788 0.388792 -1.774147
H 2.697458 0.552612 -1.896364
H 4.925436 0.727855 -2.466696
H 3.776447 -0.139039 1.635727
H 7.304349 0.665370 -1.802772
H 6.172950 -0.194731 2.264655
H 7.940026 0.204918 0.558029


%chk=000108291-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108291

0 1
P -3.506420 -0.357728 -0.052475
O -3.321929 -0.642036 1.530207
O 1.644314 -0.087624 1.187656
N -4.321494 -1.649548 -1.005440
N -4.554075 1.043100 -0.484866
N 0.479448 0.133667 -0.837575
N 2.815494 0.324496 -0.825675
C -5.429416 -2.424800 -0.311814
C -4.080386 -3.077268 -0.541520
C -5.711957 1.343921 0.453815
C -4.487100 2.236720 0.455737
C -1.952871 -0.056272 -0.953740
C -0.775169 -0.076258 -0.266434
C 1.669636 0.109429 -0.057080
C 4.168012 0.379260 -0.374975
C 5.167246 0.598892 -1.361483
C 4.541693 0.228935 0.986724
C 6.525875 0.668668 -0.994038
C 5.907429 0.301987 1.336479
C 6.905952 0.520678 0.360223
H -6.277069 -2.664215 -0.960333
H -5.674672 -2.159523 0.724477
H -3.449657 -3.230357 0.343633
H -3.946495 -3.791887 -1.358781
H -5.845766 0.695819 1.329343
H -6.626083 1.660948 -0.056281
H -4.509420 3.203944 -0.054685
H -3.826470 2.166147 1.329379
H -2.036820 0.128944 -2.030173
H -0.749322 -0.266469 0.813750
H 0.525212 0.314792 -1.843035
H 2.696448 0.455234 -1.832780
H 4.881540 0.714860 -2.415790
H 3.772222 0.058304 1.741384
H 7.285275 0.838190 -1.765178
H 6.189864 0.185286 2.388705
H 7.961128 0.574562 0.647641


