%chk=000194037.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194037

0 1
P -2.900926 3.965339 0.000885
P -2.979813 -1.278184 -0.586239
P -4.912843 1.702800 0.541135
P -0.835841 -3.483541 -1.172121
P 0.529966 -3.609671 1.589246
O 0.293062 1.560277 1.831518
O -1.310443 3.696122 0.223623
O -1.936007 -0.033119 -0.561164
O -3.508026 2.573622 0.635448
O -3.090292 3.632316 -1.601163
O -3.384103 5.248975 0.481521
O -1.987396 -2.609311 -0.421423
O -3.520267 -1.434486 0.964861
O -3.878943 -1.323372 -1.743490
O 5.045521 -2.288365 -1.166752
O -4.841369 0.966395 1.979221
O -4.424628 0.449843 -0.404529
O -6.081716 2.450274 0.103834
O -0.112050 -4.105693 0.136009
O 0.193994 -2.259855 -1.564026
O -1.196462 -4.431986 -2.205745
O 2.086937 -3.911707 1.353477
O 0.069741 -4.896895 2.466459
O 0.063810 -2.295074 2.053372
N 2.260257 0.912210 0.780990
N 3.880894 1.686397 -1.013866
N 2.906704 -1.285777 0.825918
N 5.277084 -0.113455 -1.875475
N 5.423713 2.075240 -2.805827
C -0.738038 2.421192 -0.153499
C -0.893904 1.401760 1.000051
C 0.776058 2.717817 -0.209598
C 1.372911 2.086601 1.061017
C -0.923799 -0.042728 0.478219
C 3.265566 0.746706 -0.181574
C 2.093102 -0.378924 1.382310
C 3.649476 -0.616151 -0.150713
C 4.683980 -1.146954 -1.058446
C 4.900209 1.142898 -1.876939
H -1.168025 2.064857 -1.119239
H -1.728589 1.629923 1.702627
H 0.928753 3.819912 -0.213872
H 1.206039 2.332520 -1.149644
H 1.906564 2.789457 1.744693
H -1.121988 -0.761921 1.304874
H 0.013841 -0.339936 -0.039134
H 1.368677 -0.544855 2.187912
H 3.539183 2.637304 -1.092055
H -3.717666 4.193352 -2.125318
H -3.182753 -2.234640 1.471151
H 6.131657 1.675624 -3.429518
H 5.724680 2.968236 -2.430908
H -4.348428 0.070163 1.997945
H -4.859818 0.282407 -1.330073
H 0.776756 -2.367919 -2.357067
H 2.723618 -3.115714 1.081573
H 0.398581 -5.791709 2.151128


%chk=000194037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194037

0 1
P -2.699636 4.129902 0.476779
P -3.214215 -1.738916 -0.515560
P -4.358649 1.775608 1.911175
P -0.909045 -4.119322 -1.190309
P 0.219874 -3.670353 1.704028
O -0.399971 1.071009 0.621571
O -1.182399 3.765774 -0.291387
O -2.681650 -0.526992 -1.642324
O -2.914086 2.848326 1.546048
O -3.920973 3.690375 -0.716678
O -2.724976 5.634636 0.938620
O -2.049023 -2.970656 -0.826233
O -2.658274 -1.294353 1.013802
O -4.707901 -2.156022 -0.730775
O 5.713755 -2.001959 -0.057009
O -3.636385 0.441173 2.546014
O -4.673491 1.243476 0.302747
O -5.459432 2.557735 2.718777
O -0.423413 -4.640102 0.374288
O 0.364708 -3.036453 -1.675812
O -1.242229 -5.292341 -2.182217
O 1.814459 -3.574789 1.591649
O -0.330902 -4.591883 3.020074
O -0.565878 -2.248651 1.747658
N 1.907681 0.690902 0.329350
N 3.972936 1.739615 -0.669740
N 2.783383 -1.308349 0.744296
N 5.880356 0.235866 -0.794281
N 6.065632 2.439724 -1.542867
C -0.880487 2.583162 -1.133090
C -1.344600 1.247498 -0.522101
C 0.660626 2.465219 -1.048999
C 0.842626 1.757614 0.324012
C -1.328407 0.052868 -1.511179
C 3.239569 0.715369 -0.093998
C 1.666758 -0.561793 0.857368
C 3.796625 -0.545617 0.150344
C 5.188598 -0.870421 -0.221619
C 5.324137 1.421414 -0.990494
H -1.269853 2.753199 -2.151330
H -2.345043 1.304238 -0.075821
H 1.118632 3.466410 -1.085168
H 1.041321 1.842248 -1.878885
H 1.057839 2.462778 1.145566
H -0.598133 -0.715637 -1.196269
H -1.087834 0.361377 -2.544529
H 0.715995 -0.905408 1.282610
H 3.576517 2.665307 -0.836957
H -4.315792 4.460933 -1.198597
H -1.698971 -1.822925 1.406746
H 7.032661 2.217190 -1.772048
H 5.719391 3.383771 -1.694638
H -3.249002 -0.312849 1.894014
H -4.811177 1.986921 -0.354131
H 1.092858 -3.484296 -2.179524
H 2.718521 -2.330633 1.057239
H 0.073570 -5.492319 3.111391


