%chk=000193795.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193795

0 1
O 4.803124 0.755817 -0.020235
O 5.287933 -1.262918 2.451767
O 5.816793 -2.351512 0.254107
O 4.552523 0.311585 -3.086507
O -3.927711 -2.561734 -0.929585
O -3.937963 2.234904 -0.459001
O -6.645125 0.090785 1.074267
O -5.751880 -1.962333 1.208789
N 2.794772 1.030945 1.185221
N 1.084525 2.571135 1.276847
N 1.498016 -0.904698 0.256801
N -1.849678 1.740202 0.366598
N -0.858919 -0.372576 -0.071295
N -3.606381 0.034021 0.131168
C 4.253418 -1.008391 1.522346
C 4.182608 0.522406 1.245269
C 4.577478 -1.641381 0.137373
C 4.878460 -0.466800 -0.815892
C 3.902696 -0.337921 -1.991769
C 1.647672 0.387160 0.703443
C 2.383551 2.374230 1.499586
C 0.578308 1.355382 0.778617
C -0.722811 0.928691 0.367962
C 0.224839 -1.207860 -0.104805
C -4.895098 -0.363744 -0.470008
C -3.190985 1.356858 -0.062483
C -4.710702 -1.513873 -1.513841
C -1.695629 3.179467 0.729520
C -3.917619 -1.056780 -2.724846
C -5.761477 -0.870571 0.685803
H 3.341736 -1.420037 2.009026
H 4.770408 1.134727 1.973001
H 3.774321 -2.318349 -0.217359
H 5.939381 -0.483149 -1.169110
H 3.624889 -1.322799 -2.416073
H 2.991528 0.220502 -1.710391
H 6.176240 -1.273878 1.990623
H 5.673966 -3.208350 0.720491
H 3.087537 3.104556 1.879413
H 4.755644 1.244678 -2.852604
H 0.028399 -2.232747 -0.469610
H -5.404314 0.525436 -0.952552
H -5.708965 -1.920865 -1.795196
H -2.917444 -0.742978 0.205554
H -0.944759 3.670733 0.084338
H -1.367105 3.274980 1.780392
H -2.655519 3.716086 0.603873
H -2.877845 -0.814482 -2.452965
H -4.357432 -0.177159 -3.206809
H -3.854597 -1.861366 -3.471522
H -4.401723 -2.959568 -0.151569
H -7.213181 -0.189067 1.847334


%chk=000193795-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193795

0 1
O 4.500214 0.631985 -0.450144
O 5.561078 -0.582397 2.331934
O 5.451972 -2.666124 0.700564
O 4.958139 -0.197494 -3.157991
O -3.691107 -2.384930 -1.518430
O -4.309449 2.291982 0.238712
O -6.140802 -0.507085 1.561516
O -5.180203 -2.493501 0.863950
N 2.685474 1.227787 1.009318
N 0.992757 2.765424 1.208777
N 1.382720 -0.748436 0.281761
N -2.005377 1.864151 0.546986
N -0.993979 -0.257657 0.117199
N -3.525616 0.114888 -0.096121
C 4.301136 -0.653475 1.602868
C 4.068937 0.732657 0.952577
C 4.442153 -1.637390 0.397138
C 4.972199 -0.755080 -0.749891
C 4.442151 -1.112526 -2.139860
C 1.508607 0.556788 0.663130
C 2.308776 2.546115 1.316157
C 0.458081 1.522987 0.795365
C -0.869817 1.066035 0.492322
C 0.087209 -1.075942 0.026152
C -4.827286 -0.431093 -0.484549
C -3.374289 1.441364 0.217848
C -4.690450 -1.328888 -1.751207
C -1.867223 3.292518 0.938668
C -4.230779 -0.539878 -2.977627
C -5.383005 -1.263563 0.683542
H 3.476486 -0.935878 2.283352
H 4.697239 1.477679 1.471684
H 3.456996 -2.070947 0.155425
H 6.078839 -0.752538 -0.744269
H 4.803411 -2.113421 -2.431889
H 3.331554 -1.111046 -2.119041
H 6.058729 -1.421933 2.111336
H 5.010251 -3.507134 0.974619
H 3.041659 3.294556 1.610738
H 4.729417 0.724742 -2.873192
H -0.116088 -2.102280 -0.290179
H -5.517757 0.411003 -0.666572
H -5.685611 -1.787668 -1.944262
H -2.642289 -0.462839 -0.137343
H -1.202455 3.823273 0.239615
H -1.437516 3.374259 1.948803
H -2.874694 3.729898 0.911200
H -3.249861 -0.071843 -2.788183
H -4.958354 0.249843 -3.236542
H -4.127448 -1.223971 -3.836248
H -4.009522 -2.915366 -0.734760
H -6.439305 -1.070211 2.328548


