%chk=000257743.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257743

0 1
P -2.882956 -0.456257 0.652896
P 2.882614 -0.422970 -0.675151
O -1.910687 0.533408 1.578944
O -1.812782 -1.261336 -0.322377
O 1.909878 0.609835 -1.552300
O 1.812813 -1.274673 0.260117
O -3.684714 -1.356412 1.491109
O 3.684735 -1.281208 -1.555904
N -3.660725 0.674775 -0.441316
N 3.659958 0.654222 0.472390
C -0.000347 0.405771 0.009321
C -0.945764 1.301789 0.845383
C -0.814842 -0.457628 -0.981735
C 0.944713 1.341525 -0.782441
C 0.814489 -0.504215 0.957485
C -4.393461 -0.029233 -1.549512
C -4.693640 1.510680 0.261535
C 4.392245 -0.102144 1.545841
C 4.693153 1.522865 -0.189137
C -5.867248 -0.170202 -1.107857
C -6.057406 0.811661 0.065089
C 5.866241 -0.221699 1.098601
C 6.056829 0.815177 -0.025932
H -0.402505 1.828535 1.657975
H -1.463369 2.054532 0.215858
H -1.291572 0.151328 -1.773026
H -0.176169 -1.237798 -1.455545
H 0.401242 1.906744 -1.568610
H 1.462062 2.063141 -0.117264
H 1.290925 0.065956 1.777334
H 0.176130 -1.306666 1.392963
H -3.938060 -1.003014 -1.822838
H -4.315546 0.618309 -2.451536
H -4.691335 2.509448 -0.229634
H -4.458994 1.685652 1.330706
H 3.936787 -1.087948 1.771897
H 4.313886 0.501348 2.477874
H 4.690664 2.496913 0.349391
H 4.458931 1.748947 -1.248773
H -6.087366 -1.205106 -0.787286
H -6.555133 0.052642 -1.938758
H -6.855137 1.542050 -0.141561
H -6.356999 0.267988 0.980626
H 6.086617 -1.240060 0.728988
H 6.553731 -0.038802 1.939524
H 6.854522 1.534791 0.215699
H 6.356692 0.315937 -0.966353


%chk=000257743-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257743

0 1
P -2.938717 -0.485139 0.696335
P 2.937223 -0.424260 -0.727835
O -1.965751 0.648824 1.605100
O -1.783859 -1.232060 -0.369206
O 1.952695 0.752307 -1.568316
O 1.793725 -1.231819 0.305184
O -3.680593 -1.511244 1.646525
O 3.676009 -1.393030 -1.738622
N -3.819174 0.578288 -0.399495
N 3.824872 0.582373 0.414752
C -0.003685 0.518124 0.015482
C -0.981736 1.425953 0.812171
C -0.785236 -0.335274 -1.018061
C 0.965349 1.476647 -0.731998
C 0.789836 -0.378691 1.002325
C -4.501735 -0.063829 -1.572832
C -4.858082 1.463423 0.223784
C 4.490443 -0.111524 1.567738
C 4.880527 1.474479 -0.169722
C -5.992248 -0.258211 -1.149007
C -6.198108 0.683702 0.085145
C 5.974682 -0.327309 1.136246
C 6.213594 0.679189 -0.039811
H -0.448835 2.028954 1.568133
H -1.522574 2.096639 0.114493
H -1.302077 0.326607 -1.740813
H -0.118872 -1.028547 -1.552545
H 0.425887 2.115939 -1.452624
H 1.502321 2.112221 0.000963
H 1.303612 0.252340 1.754425
H 0.132722 -1.104157 1.504731
H -3.996528 -1.004292 -1.849360
H -4.421077 0.636314 -2.425278
H -4.880587 2.405873 -0.355619
H -4.593755 1.704925 1.267202
H 3.963444 -1.047800 1.816205
H 4.426505 0.564875 2.440691
H 4.904476 2.400085 0.435904
H 4.631293 1.747608 -1.209036
H -6.184190 -1.307237 -0.868547
H -6.671713 -0.000111 -1.979670
H -7.051020 1.370542 -0.051338
H -6.379341 0.086998 0.994917
H 6.131463 -1.363453 0.792665
H 6.660384 -0.143088 1.981302
H 7.064500 1.354184 0.155644
H 6.417029 0.132262 -0.975626


