%chk=000190547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190547

1 1
O -4.545366 -0.655244 1.196875
O -3.104400 2.252787 -0.432538
O -5.821733 2.279232 -1.519400
O -6.396237 -0.285146 -1.137454
O 6.328121 3.024997 -0.491663
N -2.319428 -0.334879 0.718696
N 3.869826 -1.910578 0.037454
C -3.630123 0.403210 0.907582
C -4.023716 1.158451 -0.385337
C -5.479880 1.682813 -0.285748
C 1.423226 -2.410501 0.175117
C -6.435007 0.514178 0.051318
C 0.138858 -1.637003 0.368243
C 0.064539 -0.216638 0.297505
C -5.944389 -0.279527 1.267824
C 2.619940 -1.514506 0.083014
C 2.462303 -0.016716 -0.000597
C 1.273662 0.610887 0.072663
C -1.179618 0.401704 0.469064
C -2.261807 -1.709725 0.796241
C -1.042278 -2.354342 0.625974
C 3.851390 0.458167 -0.136702
C 1.329251 -3.282716 -1.084671
C 4.680582 -0.725142 -0.095325
C 1.118821 2.085887 -0.039671
C 4.414599 1.705693 -0.269030
C 6.061963 -0.649673 -0.184398
C 5.832134 1.758508 -0.360420
C 6.646571 0.621161 -0.319729
H -3.535076 1.084688 1.793565
H -3.896112 0.532421 -1.301062
H -5.564307 2.524176 0.445160
H 1.569474 -3.089843 1.069102
H -7.474696 0.886747 0.217892
H -6.102785 0.270162 2.215109
H -6.411638 -1.286440 1.331181
H -1.297493 1.505902 0.390847
H -3.200631 -2.264681 0.995383
H -1.012635 -3.451763 0.693611
H 0.529063 -4.026922 -1.025983
H 1.180371 -2.684827 -1.992833
H 2.273559 -3.838501 -1.232148
H 0.423549 2.376793 -0.841662
H 2.077457 2.587687 -0.282789
H 0.778552 2.543380 0.901939
H -3.439195 2.950019 -1.062972
H -6.048227 1.581712 -2.199512
H -7.203968 -0.842761 -1.217095
H 3.832657 2.626336 -0.306730
H 6.678905 -1.550257 -0.150806
H 7.728941 0.709190 -0.392109
H 7.320229 3.043041 -0.555479


%chk=000190547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190547

1 1
O -4.552086 -0.581754 1.335866
O -3.150512 1.914676 -1.013951
O -5.951333 2.104270 -1.649098
O -6.720247 -0.396106 -0.812509
O 6.508093 3.063662 -0.138786
N -2.308145 -0.355223 0.649038
N 3.893147 -1.913314 0.004130
C -3.617268 0.378203 0.798548
C -4.118072 0.925966 -0.555319
C -5.504598 1.590537 -0.360412
C 1.443740 -2.404165 0.026399
C -6.501624 0.590770 0.256090
C 0.150008 -1.654678 0.271628
C 0.085545 -0.215195 0.231553
C -5.907684 -0.018436 1.542250
C 2.636173 -1.486930 0.049056
C 2.512717 -0.000439 0.006074
C 1.283243 0.632231 0.030449
C -1.174862 0.390546 0.431490
C -2.267093 -1.727889 0.694564
C -1.042227 -2.377110 0.510610
C 3.910705 0.470712 -0.058064
C 1.377438 -3.166313 -1.347285
C 4.708669 -0.727612 -0.052719
C 1.115528 2.129253 -0.106247
C 4.532956 1.730891 -0.075631
C 6.106579 -0.674237 -0.085445
C 5.954518 1.778794 -0.114087
C 6.735531 0.596550 -0.122181
H -3.440471 1.221996 1.500274
H -4.220731 0.086397 -1.272710
H -5.395322 2.476424 0.291171
H 1.564156 -3.179376 0.809801
H -7.445590 1.112947 0.514168
H -5.863908 0.757325 2.335470
H -6.500895 -0.871377 1.905902
H -1.320962 1.469403 0.401951
H -3.211789 -2.233193 0.890786
H -1.022772 -3.468933 0.559162
H 0.562191 -3.910691 -1.356019
H 1.226594 -2.461532 -2.183195
H 2.338672 -3.684867 -1.493525
H 0.247438 2.390532 -0.738619
H 2.000723 2.582419 -0.572885
H 0.971127 2.617479 0.878305
H -3.573754 2.425549 -1.754681
H -6.379636 1.346266 -2.134191
H -7.557504 -0.901915 -0.670387
H 3.997759 2.682882 -0.047080
H 6.696686 -1.594776 -0.079243
H 7.830070 0.661473 -0.150016
H 7.496877 3.039509 -0.162954


