%chk=000180691.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180691

0 1
P -1.921101 0.427630 1.078050
O -0.253574 0.431623 1.410222
O -2.337891 -0.695600 2.188262
O -2.618891 1.704745 1.291287
O 3.007071 -0.729219 -0.549107
O 0.822800 -1.230867 -0.756917
N -1.923231 -0.220047 -0.495676
C -3.872542 -1.139991 -1.776844
C -3.019496 0.109552 -1.430515
C -4.842031 -0.784254 -2.910356
C -4.632634 -1.659529 -0.554006
C 0.497404 1.409683 0.810993
C 1.523227 0.998630 -0.064744
C -2.070420 -2.103004 1.965501
C 0.323055 2.764791 1.147275
C 3.381546 -2.096059 -0.986867
C 2.412240 1.972059 -0.559946
C 1.677501 -0.410370 -0.474316
C 1.200832 3.706681 0.620956
C -0.592855 -2.417168 1.870972
C 2.250182 3.313133 -0.226109
C 3.304406 -2.135107 -2.503054
C 4.786219 -2.242472 -0.428550
H -3.186638 -1.947316 -2.135797
H -3.672798 0.914617 -1.017698
H -2.579527 0.525476 -2.367697
H -1.178025 -0.845104 -0.857052
H -5.544999 0.001768 -2.611116
H -5.439284 -1.654009 -3.206462
H -4.313352 -0.434306 -3.803183
H -3.943474 -2.088244 0.190940
H -5.201245 -0.864807 -0.056975
H -5.344066 -2.445496 -0.828264
H -2.651191 -2.438173 1.075427
H -2.527436 -2.531973 2.883279
H 2.660094 -2.800786 -0.516545
H -0.496119 3.065564 1.808529
H 3.230987 1.655601 -1.211556
H 1.075532 4.761621 0.872843
H -0.181939 -2.271148 0.858188
H -0.003734 -1.764836 2.537463
H -0.382245 -3.452448 2.159479
H 2.936597 4.060499 -0.619239
H 2.265344 -2.029682 -2.846956
H 3.690187 -3.080310 -2.901330
H 3.882377 -1.322435 -2.960219
H 4.794004 -2.118104 0.662984
H 5.208592 -3.225774 -0.662711
H 5.463945 -1.479134 -0.834045


%chk=000180691-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180691

0 1
P -2.076721 0.360023 1.052140
O -0.331465 0.463889 1.428810
O -2.443750 -0.901807 2.166211
O -2.992639 1.628892 1.306527
O 3.013179 -0.720266 -0.733427
O 0.734699 -1.170414 -0.724115
N -1.966077 -0.184365 -0.559947
C -3.835348 -1.175842 -1.973048
C -2.994540 0.070471 -1.586446
C -4.721512 -0.837502 -3.195542
C -4.687568 -1.673378 -0.785049
C 0.495048 1.435567 0.841646
C 1.567828 1.029112 -0.005762
C -1.698489 -2.197756 2.133772
C 0.331674 2.795117 1.193512
C 3.279729 -2.088168 -1.324472
C 2.504413 2.008916 -0.435819
C 1.690324 -0.372416 -0.496801
C 1.249025 3.756161 0.721321
C -0.662727 -2.239625 3.257737
C 2.346533 3.362852 -0.082949
C 3.119228 -2.005102 -2.848762
C 4.690719 -2.452704 -0.860293
H -3.127336 -1.981047 -2.262573
H -3.664707 0.870117 -1.215419
H -2.487620 0.465903 -2.489589
H -1.078518 -0.651755 -0.814947
H -5.430979 -0.023793 -2.949673
H -5.314814 -1.715891 -3.508520
H -4.115111 -0.510145 -4.061547
H -4.061743 -1.893002 0.098382
H -5.427645 -0.905131 -0.488699
H -5.240962 -2.592966 -1.051181
H -1.229064 -2.344889 1.141534
H -2.485384 -2.959334 2.274881
H 2.522336 -2.771704 -0.898742
H -0.507043 3.074733 1.838509
H 3.342695 1.689061 -1.061298
H 1.114711 4.808877 0.992459
H 0.109150 -1.469008 3.098727
H -1.145790 -2.062617 4.233843
H -0.177225 -3.234312 3.284034
H 3.068189 4.107391 -0.433776
H 2.090469 -1.717071 -3.122641
H 3.331196 -2.991435 -3.300382
H 3.825300 -1.270913 -3.275580
H 4.753576 -2.456749 0.240967
H 4.958042 -3.459148 -1.229787
H 5.430121 -1.730927 -1.249426


