%chk=000196843.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000196843

0 1
O -3.605396 -0.364259 1.463613
O -0.071658 -0.548778 -1.039658
O -3.053397 2.286471 -2.338538
O -4.553633 3.374426 -1.087528
O -3.446378 -5.047542 -0.391957
O -1.574557 -4.831126 0.820219
N -2.519570 0.584630 -0.318606
N -0.873098 -1.915620 0.591605
N 1.818697 -2.815327 0.842936
N 4.885698 1.356135 -0.516453
N 7.240912 1.249958 -0.546455
N 6.145615 2.213760 -2.453692
C -1.656565 2.836987 0.453046
C -2.883920 1.963669 0.044820
C -2.255423 -1.846043 0.066218
C 1.556259 -1.376036 0.583777
C 2.617881 -0.686837 -0.294056
C -2.860771 -0.478042 0.505597
C -3.145462 -2.956067 0.638876
C 0.162583 -1.253488 -0.062973
C -1.137328 2.380472 1.817481
C -0.548728 2.811790 -0.599209
C 2.517193 0.840225 -0.209369
C -3.612322 2.620678 -1.127894
C 3.551061 1.533874 -1.113409
C -2.590579 -4.326657 0.405638
C 5.988315 1.597973 -1.167228
H -2.030295 3.890526 0.551560
H -3.616635 1.934730 0.911954
H -2.238021 -1.909342 -1.059492
H 1.506037 -0.853436 1.581620
H 2.509555 -1.011720 -1.348007
H 3.633725 -0.999141 0.024997
H -1.796542 0.485479 -1.054490
H -0.672849 -2.628382 1.307302
H -4.172932 -2.865374 0.207223
H -3.301987 -2.797982 1.737980
H -1.909797 2.450175 2.593529
H -0.290729 2.996399 2.142670
H -0.795015 1.338893 1.797815
H -0.944536 2.940155 -1.616154
H 0.177722 3.612500 -0.424089
H 0.014652 1.858421 -0.597887
H 2.662671 1.174868 0.837346
H 1.492304 1.167349 -0.512951
H 3.308103 2.620547 -1.180121
H 3.480580 1.127667 -2.146874
H 2.636622 -2.930983 1.435775
H 1.996478 -3.321611 -0.021081
H -3.537007 2.695282 -3.106984
H -3.130756 -5.977506 -0.559146
H 7.120409 0.885171 0.399812
H 7.913599 2.012417 -0.531802
H 5.363760 2.089091 -3.086121
H 7.020854 2.024278 -2.931085


%chk=000196843-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000196843

0 1
O -4.038099 -0.832093 1.052118
O -0.031840 0.394634 -0.866200
O -3.929875 1.836425 -2.265791
O -4.986915 3.510148 -1.060005
O -1.941395 -4.803620 -1.293031
O -0.442228 -4.348521 0.417205
N -2.758977 0.726597 -0.138641
N -0.670465 -1.360538 0.528568
N 1.625175 -1.695107 1.685267
N 5.496771 0.611907 -0.892836
N 7.739742 -0.084758 -0.746205
N 6.924597 0.540493 -2.858786
C -2.901514 2.975198 1.016738
C -3.618597 1.867133 0.167627
C -1.974552 -1.593281 -0.110306
C 1.604124 -0.506134 0.790359
C 2.790003 -0.445344 -0.215315
C -3.034014 -0.534010 0.333139
C -2.510961 -3.007697 0.216166
C 0.233135 -0.442667 0.070853
C -2.492363 2.404670 2.391763
C -1.691475 3.586656 0.271315
C 3.045680 0.944314 -0.835178
C -4.251981 2.497650 -1.076114
C 4.313085 0.949121 -1.714450
C -1.522473 -4.087722 -0.164210
C 6.642863 0.383901 -1.490883
H -3.659184 3.769353 1.165632
H -4.457916 1.467919 0.773429
H -1.832736 -1.476447 -1.204114
H 1.659065 0.394410 1.435214
H 2.623984 -1.190813 -1.021409
H 3.709316 -0.744201 0.324276
H -1.889477 0.850263 -0.690140
H -0.300119 -1.951455 1.298773
H -3.462329 -3.157350 -0.313877
H -2.718059 -3.065106 1.299070
H -3.363708 2.000554 2.938920
H -2.030166 3.193608 3.012746
H -1.757451 1.586382 2.276587
H -1.990696 4.043317 -0.690506
H -1.233201 4.382274 0.886395
H -0.911256 2.829444 0.067452
H 3.188352 1.684259 -0.022113
H 2.168236 1.259016 -1.426799
H 4.415462 1.962063 -2.169386
H 4.169635 0.228629 -2.558030
H 2.148476 -1.547732 2.552998
H 1.923749 -2.556769 1.210958
H -4.382386 2.302366 -3.021381
H -1.262367 -5.498878 -1.513113
H 7.541540 -0.240734 0.241123
H 8.676868 0.234664 -0.989639
H 6.216349 0.942849 -3.465690
H 7.687965 0.024456 -3.290444


