%chk=000180831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180831

0 1
S 5.520912 -0.357277 0.907931
F 5.607309 1.256177 -1.148962
F 5.741740 -0.776829 -1.664920
F -5.235326 -2.137769 1.224905
F -5.085020 1.986525 -1.000555
F 8.065496 0.772189 0.487898
F 8.236135 0.916777 -1.610230
O -1.081052 1.358038 1.098021
O -3.839219 0.871625 1.986632
N -0.393504 -0.737036 0.346947
N -2.679687 -0.117765 0.242336
C 1.019668 -0.591627 0.488275
C 3.788150 -0.435891 0.687477
C 1.808657 -1.733492 0.215275
C 1.623430 0.622612 0.863698
C 3.195347 -1.647258 0.315114
C 3.012124 0.696575 0.958207
C -5.095121 -0.051910 0.161219
C 6.155160 0.103393 -0.731125
C -1.346355 0.280563 0.628802
C -3.859834 0.316900 0.922048
C -5.771123 -1.261607 0.380880
C -5.692032 0.832454 -0.750354
C 7.699293 0.131658 -0.646854
C -6.968004 -1.592973 -0.257791
C -6.888284 0.546578 -1.414371
C -7.522346 -0.672421 -1.154374
H 1.348374 -2.675639 -0.072004
H 1.013659 1.506550 1.086670
H 3.809887 -2.525615 0.102502
H 3.484417 1.641124 1.244742
H -0.724063 -1.670917 0.090391
H -2.791213 -0.691802 -0.598372
H 8.176309 -0.878251 -0.680497
H -7.466390 -2.542381 -0.057500
H -7.323633 1.261508 -2.114403
H -8.462861 -0.909986 -1.658457


%chk=000180831-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180831

0 1
S 5.634957 -1.142270 0.479962
F 5.816720 1.597023 0.550657
F 5.698887 0.716922 -1.542716
F -6.269765 0.587155 2.223285
F -4.127462 -0.809286 -1.913345
F 8.385110 0.122335 0.850013
F 8.231242 1.787531 -0.724515
O -1.077586 0.438398 1.972816
O -3.769601 1.514339 1.470696
N -0.384059 -0.438911 -0.107307
N -2.662699 -0.217780 0.328198
C 1.018762 -0.562307 0.078288
C 3.816945 -0.875449 0.297050
C 1.775024 -1.066225 -1.016387
C 1.677247 -0.210467 1.287901
C 3.168653 -1.223289 -0.909300
C 3.074150 -0.372670 1.387455
C -5.114454 -0.040722 0.180309
C 6.240220 0.488877 -0.229944
C -1.336707 -0.016590 0.836286
C -3.806492 0.504801 0.731766
C -6.318912 0.080458 0.926241
C -5.282019 -0.618664 -1.101784
C 7.779586 0.485685 -0.387968
C -7.576808 -0.313991 0.438434
C -6.506493 -1.024128 -1.646860
C -7.667373 -0.862163 -0.858431
H 1.273323 -1.337687 -1.953723
H 1.100552 0.193132 2.121336
H 3.746145 -1.608852 -1.754057
H 3.586015 -0.097157 2.314207
H -0.719859 -0.626172 -1.055487
H -2.798655 -0.930528 -0.394024
H 8.113393 -0.219598 -1.168415
H -8.456254 -0.191616 1.075640
H -6.540819 -1.449211 -2.652903
H -8.639915 -1.168121 -1.254173


