%chk=000251311.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251311

0 1
O -0.282203 -1.296614 -2.185891
O -0.688592 2.379408 0.561374
O 3.363573 0.115033 -0.468723
O 3.622850 -1.529318 1.061304
N -0.180856 0.612700 -0.864616
C -2.286726 -0.518594 -0.963465
C -2.425534 0.731237 -0.049564
C -2.632358 -1.856196 -0.288226
C -2.902625 0.437793 1.382617
C -0.831822 -0.525234 -1.442891
C -1.040408 1.387044 -0.025786
C 1.247634 0.922677 -1.086023
C -3.819464 -1.715268 0.617078
C -3.946588 -0.638646 1.400021
C 2.091207 0.531764 0.146517
C 2.392740 1.689716 1.074649
C 4.043768 -0.943643 0.091987
C 5.287361 -1.186387 -0.688845
H -2.950493 -0.393601 -1.855048
H -3.145030 1.447246 -0.519447
H -1.768975 -2.225428 0.310286
H -2.802513 -2.628325 -1.066071
H -3.276165 1.374231 1.844828
H -2.048078 0.114627 2.019037
H 1.610699 0.355597 -1.980665
H 1.357771 2.006070 -1.317998
H -4.539678 -2.528420 0.602382
H -4.780129 -0.494142 2.081527
H 1.663987 -0.342738 0.689956
H 1.470377 2.233479 1.341607
H 3.076153 2.414404 0.613694
H 2.861730 1.349191 2.006233
H 6.171525 -1.160090 -0.032841
H 5.434952 -0.442649 -1.488198
H 5.261309 -2.182425 -1.159600


%chk=000251311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251311

0 1
O -0.318684 -1.799688 -1.718362
O -0.653284 2.556687 -0.026227
O 3.523806 0.212196 -0.603213
O 4.302833 -1.628676 0.603789
N -0.185517 0.410184 -0.900829
C -2.344280 -0.617689 -0.830722
C -2.446176 0.820631 -0.240305
C -2.829428 -1.748439 0.133250
C -2.971426 0.870110 1.230584
C -0.870124 -0.790696 -1.216251
C -1.034532 1.408094 -0.355797
C 1.246203 0.614030 -1.166435
C -4.087306 -1.318475 0.867190
C -4.154544 -0.067283 1.395183
C 2.136925 -0.033920 -0.082828
C 1.990285 0.583415 1.311989
C 4.522557 -0.675412 -0.176553
C 5.857758 -0.319062 -0.793237
H -2.944945 -0.689102 -1.755740
H -3.124119 1.440604 -0.854155
H -2.026738 -1.960962 0.870397
H -2.977912 -2.679225 -0.438564
H -3.222159 1.910379 1.496173
H -2.154598 0.558673 1.915801
H 1.488341 0.164072 -2.144517
H 1.427159 1.702290 -1.200640
H -4.913074 -2.031361 0.975404
H -5.037036 0.275817 1.947597
H 1.978490 -1.127511 -0.049843
H 0.957603 0.449726 1.681746
H 2.205495 1.665381 1.286725
H 2.672397 0.088051 2.022309
H 6.613552 -0.214016 0.003624
H 5.795164 0.610113 -1.377251
H 6.186715 -1.144439 -1.449092


