%chk=000225328.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225328

0 1
O -2.836607 1.879567 1.630599
C -0.215089 -0.593707 -0.206083
C -1.647895 -0.979644 -0.226847
C 0.034644 0.861394 -0.313324
C -2.595505 -0.102958 0.340837
C -0.900685 1.753103 0.254208
C -2.171162 1.237844 0.844053
C 0.738264 -1.525371 -0.016318
C -2.079925 -2.199222 -0.767267
C 1.165441 1.379338 -0.959857
C -3.945072 -0.469190 0.407970
C -0.667011 3.133345 0.229579
C 2.183416 -1.286128 0.129239
C -3.433016 -2.549110 -0.714954
C 1.381119 2.760424 -1.000077
C -4.364771 -1.693287 -0.119807
C 0.475908 3.638222 -0.395957
C 3.079066 -1.882963 -0.773263
C 2.674907 -0.504117 1.187285
C 4.454201 -1.689685 -0.620014
C 4.051660 -0.321729 1.337347
C 4.942653 -0.911611 0.434656
H 0.466217 -2.585325 0.070809
H -1.365973 -2.873726 -1.237025
H 1.881718 0.706207 -1.432670
H -4.660809 0.212916 0.875848
H -1.389193 3.805605 0.701218
H -3.761542 -3.497733 -1.140366
H 2.264443 3.152899 -1.504537
H -5.414735 -1.976705 -0.069761
H 0.656817 4.711430 -0.416519
H 2.702401 -2.491368 -1.593109
H 1.979902 -0.039579 1.886305
H 5.147365 -2.149259 -1.323020
H 4.430935 0.283021 2.160127
H 6.014613 -0.766500 0.553795


%chk=000225328-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000225328

0 1
O -3.177499 2.016851 1.366074
C -0.210805 -0.445102 -0.305229
C -1.626679 -0.919387 -0.278305
C -0.014683 1.029092 -0.286840
C -2.638604 -0.081352 0.287706
C -1.025974 1.873661 0.268894
C -2.332918 1.313639 0.719694
C 0.805175 -1.385377 -0.290301
C -2.017631 -2.205577 -0.748333
C 1.131938 1.649784 -0.858327
C -3.972463 -0.549100 0.423328
C -0.838453 3.279480 0.332731
C 2.257918 -1.268033 -0.047867
C -3.346885 -2.652677 -0.631932
C 1.298359 3.046577 -0.816487
C -4.332051 -1.829292 -0.027860
C 0.322154 3.869013 -0.195845
C 3.124395 -2.225720 -0.652454
C 2.830939 -0.322745 0.854013
C 4.514137 -2.209310 -0.411291
C 4.216776 -0.318036 1.108413
C 5.068638 -1.252098 0.469804
H 0.487978 -2.431712 -0.397214
H -1.285555 -2.855363 -1.238672
H 1.889844 1.032808 -1.347685
H -4.702220 0.126526 0.881000
H -1.635161 3.878953 0.784786
H -3.621150 -3.640654 -1.018294
H 2.185919 3.498907 -1.272637
H -5.363472 -2.183747 0.069407
H 0.461484 4.954479 -0.153927
H 2.699244 -2.980008 -1.326373
H 2.183522 0.392528 1.369800
H 5.160789 -2.946385 -0.900072
H 4.633757 0.408630 1.814587
H 6.145938 -1.242856 0.668810


