%chk=000185954.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185954

0 1
O -0.516262 0.561610 2.214284
O -0.875383 2.673686 -2.013112
O -3.362395 -0.964969 1.718072
O -4.620859 -2.015973 0.003521
O 2.350273 -2.878052 0.174235
O 4.901489 -1.582930 0.083893
N 0.452119 3.069202 0.290298
C 0.179048 1.621473 0.033251
C -0.971680 1.154098 1.016411
C -0.451007 1.457013 -1.419319
C 1.417607 0.737692 0.058344
C -1.871178 0.294003 0.164324
C -1.620959 0.509538 -1.227893
C 1.620223 3.527550 -0.520573
C 2.700159 1.295555 -0.045972
C 2.918869 2.775340 -0.189552
C -2.891120 -0.562135 0.479123
C 0.662400 3.367655 1.741640
C 1.276333 -0.663865 0.104415
C -2.361003 -0.092324 -2.225367
C 3.832514 0.461725 -0.026504
C -3.653165 -1.195664 -0.561990
C -3.420943 -0.982032 -1.898937
C 2.390987 -1.494269 0.113290
C 3.696304 -0.925025 0.062006
C -4.484358 -1.870542 1.454500
C 1.048449 -3.509354 0.106982
C 4.889333 -3.032072 0.145131
H -1.552054 2.032896 1.405176
H 0.291602 1.071659 -2.154176
H 1.750439 4.618844 -0.364341
H 1.353841 3.397745 -1.596696
H 3.361239 3.169156 0.750256
H 3.673207 2.975842 -0.978114
H 1.353545 2.676656 2.250110
H -0.308140 3.310131 2.264082
H 1.036673 4.394608 1.861002
H 0.275567 -1.096604 0.114640
H -2.147908 0.115108 -3.274366
H 0.040191 -0.231589 2.052364
H -1.294167 3.267722 -1.342878
H 4.836293 0.883182 -0.085865
H -4.014109 -1.459645 -2.673501
H -5.398426 -1.395346 1.835298
H -4.227669 -2.853710 1.869283
H 0.542618 -3.248824 -0.827510
H 0.450743 -3.242593 0.983170
H 1.317682 -4.573126 0.124818
H 4.392789 -3.440783 -0.741002
H 4.392610 -3.365018 1.062864
H 5.960039 -3.264744 0.155387


%chk=000185954-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185954

0 1
O -0.443646 0.572700 2.243067
O -1.301186 2.962400 -1.544754
O -3.173889 -1.183748 1.760875
O -4.401526 -2.316112 0.044809
O 2.178671 -2.964563 -0.171972
O 4.803594 -1.803141 -0.274860
N 0.512757 3.094176 0.287422
C 0.154927 1.667199 -0.003269
C -0.953120 1.154305 1.008482
C -0.633069 1.665814 -1.398880
C 1.382224 0.735564 -0.052228
C -1.839005 0.264659 0.147339
C -1.651904 0.550869 -1.236144
C 1.673916 3.530102 -0.549548
C 2.700977 1.259704 -0.142583
C 2.962422 2.759056 -0.200289
C -2.801063 -0.685792 0.482732
C 0.697811 3.458043 1.718902
C 1.212532 -0.678599 -0.050762
C -2.375648 -0.110917 -2.243644
C 3.794764 0.362336 -0.178236
C -3.528621 -1.353970 -0.533504
C -3.341507 -1.099272 -1.895187
C 2.308457 -1.566346 -0.112730
C 3.635603 -1.035413 -0.150528
C -4.384172 -2.007080 1.497318
C 0.820911 -3.517730 -0.235374
C 4.982570 -2.962922 0.623895
H -1.550313 2.019814 1.348447
H 0.048551 1.504446 -2.257141
H 1.810540 4.617477 -0.408764
H 1.406503 3.364778 -1.608908
H 3.364339 3.111492 0.770871
H 3.742779 2.976178 -0.954380
H 1.523079 2.904749 2.213130
H -0.217835 3.259857 2.294296
H 0.911738 4.540725 1.770248
H 0.199972 -1.090430 -0.068492
H -2.209122 0.138241 -3.296348
H 0.218168 -0.132303 2.012327
H -0.857291 3.512558 -0.803071
H 4.820189 0.744010 -0.240056
H -3.917764 -1.636794 -2.652457
H -5.284314 -1.414348 1.751656
H -4.309700 -2.946140 2.064833
H 0.276741 -3.140310 -1.121986
H 0.245545 -3.283859 0.681515
H 0.959853 -4.605533 -0.318573
H 4.213460 -3.729490 0.440488
H 4.948447 -2.639121 1.682291
H 5.985056 -3.348819 0.384227


