%chk=000298512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298512

0 1
O 1.118735 2.938511 0.241719
O -1.180286 2.428062 1.782305
O 0.028922 -0.004462 -2.091761
N 0.013535 0.941322 0.497372
N 0.010469 -0.852712 -1.170329
C 0.013345 -0.459429 0.184711
C 0.004879 -1.422743 1.196120
C -0.011590 -2.791914 0.889313
C 1.200805 1.737977 0.252005
C -1.234110 1.542097 0.970130
C 2.457241 0.955841 0.036570
C -2.488691 0.951577 0.421134
C -0.011918 -3.168558 -0.460344
C 0.004618 -2.206768 -1.467635
C -0.022608 -3.806278 1.980791
C 2.856815 0.633313 -1.266158
C -3.499246 0.565558 1.314624
C 3.253386 0.614687 1.137062
C -2.687511 0.855533 -0.962205
C 4.065699 -0.039060 -1.466013
C -4.704356 0.064375 0.818264
C 4.460308 -0.058223 0.927730
C -3.900184 0.361121 -1.451204
C 4.866138 -0.383092 -0.371611
C -4.905120 -0.035948 -0.563731
H 0.016029 -1.089398 2.237878
H -0.024065 -4.223423 -0.742409
H 0.007351 -2.475569 -2.530390
H -0.088791 -4.836792 1.606041
H 0.891634 -3.746635 2.591651
H -0.875663 -3.659138 2.660709
H 2.216416 0.896321 -2.115696
H -3.345100 0.667562 2.389621
H 2.938275 0.879844 2.146249
H -1.893437 1.159191 -1.657300
H 4.384071 -0.290264 -2.476942
H -5.491368 -0.239323 1.506675
H 5.087781 -0.323608 1.776997
H -4.058991 0.288893 -2.526772
H 5.810207 -0.902971 -0.531155
H -5.849425 -0.420877 -0.948220


%chk=000298512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298512

0 1
O 0.807070 2.750649 -0.515199
O -0.938769 2.189667 1.918703
O 0.441921 -0.273720 -2.149223
N 0.045586 0.712015 0.365438
N 0.282767 -1.146203 -1.144292
C 0.060980 -0.686823 0.171153
C -0.180402 -1.609758 1.203635
C -0.201249 -3.005436 0.972439
C 1.082128 1.573813 -0.187019
C -1.107255 1.327646 1.024621
C 2.459708 0.998363 -0.277287
C -2.450449 0.870715 0.555903
C 0.070190 -3.433808 -0.354141
C 0.314174 -2.512286 -1.377354
C -0.473866 -3.986234 2.093711
C 3.288472 1.421788 -1.347966
C -3.548719 0.957010 1.450905
C 2.979032 0.122349 0.709738
C -2.656063 0.444852 -0.784067
C 4.614431 0.956737 -1.442371
C -4.839585 0.590897 1.021124
C 4.313051 -0.332926 0.619090
C -3.954208 0.094052 -1.212010
C 5.129891 0.075946 -0.459904
C -5.043837 0.156048 -0.311358
H -0.345104 -1.207564 2.208875
H 0.090703 -4.499209 -0.603378
H 0.516420 -2.782517 -2.414552
H -0.485889 -5.025821 1.725725
H 0.296482 -3.918087 2.884802
H -1.449701 -3.785571 2.573396
H 2.872717 2.106745 -2.093234
H -3.372307 1.321422 2.468703
H 2.359310 -0.170345 1.563596
H -1.818055 0.436490 -1.493298
H 5.247755 1.277975 -2.276299
H -5.685654 0.650620 1.714255
H 4.716092 -0.995971 1.392462
H -4.117610 -0.216813 -2.249462
H 6.163337 -0.281503 -0.531806
H -6.049292 -0.120602 -0.648255


