%chk=000197216.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197216

0 1
O 0.415313 1.942411 0.868604
O -3.807203 -2.608579 -0.110927
O -1.909825 -3.504521 1.921846
O -3.213356 -0.383141 -1.318060
O 2.037434 1.998353 2.347500
O 4.576046 1.459691 1.632404
O 2.378841 -2.928124 -0.715181
O 1.328281 -1.764049 0.882022
N -1.897799 0.512738 0.334077
N -0.898953 -2.396718 -1.486115
C -1.546389 1.725651 -0.449149
C 0.001505 1.845880 -0.533600
C -2.143281 2.986650 0.198606
C 0.669059 0.674330 -1.248726
C -3.685212 2.964181 0.281704
C 2.148498 0.652206 -1.027097
C -2.921429 -1.751119 0.611081
C -2.681374 -0.474772 -0.211935
C 2.639173 1.154443 0.201206
C -4.177268 4.252591 0.954530
C -4.328063 2.793676 -1.098220
C -1.629275 -2.549103 0.899299
C 1.731733 1.703985 1.203287
C -1.042244 -3.319095 -0.321668
C 3.025468 0.107897 -1.961800
C 4.023227 1.059736 0.470908
C 0.352811 -3.862351 0.058189
C 4.407483 0.068303 -1.690988
C 4.917443 0.527268 -0.488264
C 1.342464 -2.740004 0.167229
H -1.953086 1.609019 -1.496146
H 0.297446 2.818200 -0.990726
H -1.816776 3.877326 -0.372676
H -1.717821 3.119478 1.216528
H 0.256571 -0.307524 -0.879930
H 0.406406 0.687184 -2.326278
H -3.991737 2.097898 0.920230
H -1.452628 0.430151 1.250151
H -3.444095 -1.523169 1.574446
H -3.928903 5.141344 0.364647
H -3.737691 4.383356 1.949201
H -5.265938 4.241429 1.078462
H -4.093046 1.808995 -1.531014
H -5.420024 2.858694 -1.037716
H -3.996535 3.559598 -1.805078
H -0.851807 -1.894614 1.375647
H -1.719584 -4.187921 -0.538040
H 2.655127 -0.273673 -2.909747
H 0.697517 -4.624283 -0.672054
H 0.285269 -4.388433 1.042495
H 5.084367 -0.340106 -2.445738
H 5.980187 0.492091 -0.256125
H -4.132086 -2.155654 -0.944749
H -0.341642 -2.827845 -2.221297
H -1.810674 -2.176385 -1.893499
H -2.696671 -4.050353 1.680686
H 3.875100 1.777275 2.322148
H 3.039648 -2.176091 -0.699186


%chk=000197216-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000197216

0 1
O 0.400531 1.748289 0.954053
O -3.869389 -2.628850 0.046096
O -1.954190 -3.576855 2.002825
O -3.239469 -0.476618 -1.369519
O 2.119061 1.749430 2.447519
O 4.556162 1.262075 1.735881
O 2.274181 -2.864197 -0.943205
O 1.551205 -1.906183 1.046234
N -1.928933 0.504720 0.300095
N -0.823464 -2.425930 -1.411324
C -1.563612 1.727585 -0.444531
C -0.020333 1.827467 -0.494330
C -2.201957 2.995715 0.177171
C 0.660758 0.739062 -1.332118
C -3.752633 3.004049 0.202011
C 2.157516 0.700199 -1.091568
C -2.887814 -1.750153 0.677723
C -2.681031 -0.508040 -0.215595
C 2.650542 1.086096 0.189219
C -4.253019 4.248684 0.972621
C -4.362364 2.956253 -1.220441
C -1.609398 -2.575549 0.979825
C 1.742357 1.539130 1.252531
C -0.996661 -3.318944 -0.245350
C 3.058577 0.222911 -2.063943
C 4.048808 0.957068 0.496104
C 0.392664 -3.904305 0.149087
C 4.446073 0.129661 -1.763665
C 4.944304 0.488339 -0.498846
C 1.434490 -2.801939 0.179400
H -1.933478 1.586635 -1.476453
H 0.276662 2.836640 -0.842694
H -1.850922 3.872848 -0.406587
H -1.808912 3.121846 1.205163
H 0.214789 -0.255185 -1.105697
H 0.448652 0.940772 -2.399085
H -4.091054 2.100852 0.751635
H -1.493161 0.400508 1.222207
H -3.290060 -1.425849 1.659484
H -3.947852 5.179763 0.456495
H -3.843689 4.281623 1.999692
H -5.356003 4.252165 1.045667
H -4.117201 2.015806 -1.745459
H -5.464591 3.027105 -1.170861
H -3.999761 3.807488 -1.830062
H -0.842133 -1.940336 1.455167
H -1.667530 -4.182556 -0.456813
H 2.690969 -0.063355 -3.055036
H 0.700677 -4.676901 -0.574359
H 0.299086 -4.356296 1.151162
H 5.141248 -0.229693 -2.530549
H 6.005712 0.406379 -0.250350
H -4.124213 -2.184321 -0.815895
H -0.127242 -2.765573 -2.084563
H -1.698874 -2.142323 -1.866611
H -2.763029 -4.055328 1.678726
H 3.772956 1.503970 2.349027
H 2.895992 -2.081453 -0.951906


