%chk=000233875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233875

0 1
O -2.619874 1.469838 -0.109189
O -0.948124 -2.672701 -1.018906
O 0.729600 -1.582329 2.070186
O -4.836173 1.889436 -0.373410
O 5.151315 -1.924096 -0.603071
O 5.006758 2.455509 0.563666
N 5.060079 0.272759 -0.051987
C -0.693452 -0.656402 0.300090
C -2.788254 0.587201 1.076070
C -1.579832 -1.890093 0.009016
C -1.330143 0.217273 1.387273
C -3.008436 -1.474817 -0.412465
C -3.647110 -0.624135 0.695518
C 0.728101 -1.115878 0.703903
C 1.765078 0.014716 0.714688
C -3.417314 1.411040 2.192016
C -3.858065 -2.709544 -0.711927
C 2.281526 0.361071 -0.690326
C 3.145017 -0.767098 -1.278402
C 3.086525 1.671171 -0.668834
C -3.691214 2.062367 -0.722511
C 4.501317 -0.902411 -0.634526
C 4.428791 1.547373 0.007343
C -3.194184 2.911191 -1.844618
H -0.614099 -0.048861 -0.635883
H -1.594966 -2.599395 0.865641
H -1.274047 -0.302656 2.367586
H -0.731558 1.142854 1.513124
H -2.939274 -0.850171 -1.338288
H -4.654054 -0.280986 0.367654
H -3.830900 -1.238800 1.597976
H 1.051935 -1.959984 0.046431
H 1.336607 0.912139 1.205036
H 2.599344 -0.289065 1.385236
H -2.864482 2.341251 2.369558
H -4.451692 1.699018 1.942070
H -3.452567 0.861782 3.138837
H -4.822459 -2.434910 -1.153756
H -3.345999 -3.381534 -1.413887
H -4.067732 -3.296051 0.190084
H 1.399540 0.511351 -1.365525
H -1.059842 -2.262711 -1.897114
H 3.290507 -0.618102 -2.370329
H 2.615443 -1.745223 -1.192650
H 2.508912 2.479917 -0.168411
H 3.251119 2.041023 -1.704695
H 0.344071 -2.477863 2.123210
H 5.985434 0.182512 0.395481
H -2.099713 2.877345 -1.948097
H -3.484650 3.962733 -1.689617
H -3.639717 2.593746 -2.799869


%chk=000233875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233875

0 1
O -2.335372 1.336836 -0.485100
O -1.029808 -3.197994 -0.503849
O 0.752166 -2.175985 1.978159
O -4.573402 1.901514 -0.919415
O 4.316963 -1.338923 -2.092881
O 5.369992 1.874594 1.074856
N 4.775310 0.297790 -0.515487
C -0.627987 -0.880414 0.346217
C -2.619789 0.663391 0.862819
C -1.609607 -2.079702 0.276622
C -1.213605 0.192695 1.293340
C -3.002628 -1.656847 -0.243488
C -3.572757 -0.537920 0.664986
C 0.796888 -1.362516 0.744044
C 1.813407 -0.241682 1.030344
C -3.186957 1.712895 1.833303
C -3.980419 -2.848739 -0.312580
C 2.006950 0.793603 -0.110514
C 2.475660 0.164436 -1.448798
C 3.032181 1.880567 0.301790
C -3.360558 1.915700 -1.233943
C 3.900442 -0.376288 -1.396852
C 4.471760 1.377119 0.347757
C -2.786955 2.587983 -2.467294
H -0.561248 -0.439264 -0.672813
H -1.725800 -2.517186 1.286307
H -1.277277 -0.221382 2.318579
H -0.554199 1.078105 1.340843
H -2.870265 -1.243205 -1.268235
H -4.541468 -0.184255 0.274049
H -3.764830 -0.963587 1.672097
H 1.168253 -2.002238 -0.083005
H 1.500450 0.291170 1.948637
H 2.776869 -0.729334 1.275116
H -2.518155 2.590462 1.889481
H -4.189004 2.046316 1.520489
H -3.261518 1.276763 2.846119
H -4.948743 -2.538416 -0.745998
H -3.568163 -3.669176 -0.924647
H -4.175356 -3.253914 0.699119
H 1.040462 1.299085 -0.298921
H -0.973345 -2.926311 -1.455984
H 2.446030 0.932672 -2.248787
H 1.828248 -0.662282 -1.783414
H 2.807338 2.303779 1.295638
H 3.004267 2.723909 -0.418486
H 0.459848 -3.088088 1.723239
H 5.743865 -0.046062 -0.485778
H -1.938192 2.016046 -2.874881
H -2.417293 3.594271 -2.197144
H -3.575559 2.700807 -3.226259


