%chk=000188328.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188328

0 1
O 1.666244 -0.479118 -0.566250
O 3.295942 0.914869 0.024117
O -1.674735 -0.702540 -1.717199
O 1.010285 2.352905 -1.062842
O 2.662349 -2.287129 1.698473
O -1.427380 2.320482 -2.916697
O 5.585254 -2.321524 1.177229
O -2.762392 0.713826 -0.231794
O 5.829239 -0.254763 -0.626174
O -0.202852 -2.853283 0.759279
O 4.757559 3.639324 0.733167
N -7.694772 -1.482019 1.185167
C 0.333625 0.086682 -0.497115
C 0.259354 1.227877 -1.531431
C -0.571039 -1.100097 -0.880869
C 2.518904 -0.192388 0.535691
C 3.346069 -1.483783 0.731833
C -1.190652 1.745041 -1.627449
C 4.721815 -1.204137 1.375909
C 5.440909 -0.001702 0.713213
C 4.502656 1.228592 0.766820
C -2.223988 0.595805 -1.560327
C -1.134995 -1.844807 0.343243
C 5.073534 2.444103 0.019463
C -3.991286 0.109242 0.041004
C -4.687074 0.706689 1.104911
C -4.474552 -1.018522 -0.628489
C -5.895195 0.151110 1.509062
C -5.692195 -1.565586 -0.224996
C -6.410045 -0.985433 0.841892
H 0.122990 0.476066 0.524759
H 0.657080 0.911571 -2.522541
H -0.013862 -1.802615 -1.552552
H 1.973320 0.135727 1.442387
H 3.447793 -2.047953 -0.223879
H -1.385942 2.512762 -0.837190
H 4.595487 -1.040906 2.473857
H 6.420565 0.182651 1.218528
H 4.224112 1.497373 1.809806
H -2.998893 0.639606 -2.357778
H -2.116957 -2.298276 0.110671
H -1.245354 -1.203052 1.237954
H 4.691704 2.492581 -1.017729
H 6.182440 2.437195 0.002300
H 1.956590 2.073047 -0.893721
H 1.758874 -2.551045 1.356230
H -0.849205 3.111446 -3.035522
H 5.186938 -3.121117 1.599390
H 5.036296 -0.420755 -1.191397
H -0.238152 -3.622563 0.152580
H 3.808509 3.865014 0.624666
H -4.274844 1.587812 1.594180
H -3.912631 -1.465605 -1.449508
H -6.452055 0.604332 2.326852
H -6.090529 -2.433485 -0.746309
H -8.008937 -1.275368 2.123073
H -7.873126 -2.445556 0.938649


%chk=000188328-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000188328

0 1
O 1.659437 -0.666068 -0.771421
O 3.380598 0.824745 -0.222327
O -1.823830 -0.656733 -2.005928
O 1.250572 2.145883 -1.491700
O 2.434503 -2.361893 1.543196
O -1.440610 2.469508 -3.011059
O 5.250744 -2.148064 2.126242
O -2.577052 0.726165 -0.168633
O 6.027508 -0.282078 -0.049785
O 0.122155 -3.085771 0.144393
O 4.131548 3.696892 0.215912
N -7.482061 -1.411911 1.709106
C 0.310779 -0.069953 -0.847325
C 0.279441 1.108817 -1.833651
C -0.608174 -1.200992 -1.345297
C 2.488551 -0.240035 0.311838
C 3.293103 -1.456708 0.789932
C -1.118573 1.752791 -1.777503
C 4.411183 -1.020390 1.755393
C 5.280329 0.108884 1.147399
C 4.346588 1.302895 0.826503
C -2.224802 0.688479 -1.584941
C -1.010749 -2.211944 -0.245444
C 5.032304 2.541498 0.246982
C -3.821214 0.143737 0.229112
C -4.255864 0.473408 1.531263
C -4.598875 -0.714031 -0.581915
C -5.467432 -0.044041 2.025203
C -5.818376 -1.224066 -0.087965
C -6.275654 -0.900456 1.220496
H 0.003368 0.282665 0.158492
H 0.462243 0.724904 -2.859740
H -0.072786 -1.736481 -2.154684
H 1.888835 0.184335 1.148732
H 3.731024 -1.960889 -0.098107
H -1.136033 2.435447 -0.904279
H 3.909362 -0.604067 2.661123
H 6.054508 0.397449 1.878868
H 3.768132 1.605458 1.725406
H -3.091933 0.920876 -2.227094
H -1.856355 -2.825655 -0.609169
H -1.316586 -1.703206 0.681515
H 5.449679 2.309471 -0.752704
H 5.860333 2.843905 0.909379
H 2.133188 1.716403 -1.278021
H 1.614554 -2.620547 1.010832
H -0.742965 3.158658 -3.153583
H 4.637710 -2.881299 2.397343
H 5.375555 -0.385026 -0.792614
H 0.345939 -3.689468 -0.606790
H 3.367055 3.509038 -0.386915
H -3.643217 1.143832 2.142334
H -4.256820 -1.005136 -1.578967
H -5.795799 0.222124 3.037080
H -6.417371 -1.887552 -0.723489
H -7.808503 -1.176004 2.640979
H -8.066397 -2.009201 1.132590


