%chk=000207352.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207352

0 1
O 2.305546 -2.708977 0.660784
N -4.210741 -0.296165 -0.844770
N 0.653576 -1.544664 -0.416454
N 2.240603 0.773952 0.171789
C -2.397321 -1.211122 0.202781
C -1.447862 -2.198320 0.775040
C -2.245075 0.226160 0.214067
C -3.396456 0.774529 -0.447149
C -0.358552 -2.612154 -0.233424
C -3.591762 -1.499502 -0.442440
C -1.264586 1.104939 0.714112
C -3.575479 2.164312 -0.612786
C -1.443694 2.467119 0.549683
C -2.589145 2.990875 -0.107417
C 1.908346 -1.665528 0.162374
C 2.813395 -0.454565 0.052074
C 4.192559 -0.643270 -0.130455
C 5.012991 0.487853 -0.201891
C 3.051145 1.858725 0.104550
C 4.441846 1.756929 -0.084655
H -0.976709 -1.787893 1.695069
H -1.990371 -3.106812 1.111778
H -0.810187 -2.832118 -1.226891
H 0.148775 -3.544604 0.115203
H -4.042812 -2.454556 -0.641001
H -5.085148 -0.225158 -1.323952
H -0.380338 0.710783 1.216308
H -4.451773 2.558167 -1.114638
H 0.292121 -0.628901 -0.697033
H -0.696933 3.162186 0.927204
H -2.681485 4.071494 -0.209249
H 4.601558 -1.653358 -0.199181
H 6.088297 0.376284 -0.344245
H 2.559054 2.833219 0.206240
H 5.056617 2.652942 -0.135425


%chk=000207352-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207352

0 1
O 2.451080 -2.795059 0.672731
N -4.099800 -0.145758 -0.979508
N 0.672877 -1.606791 -0.300521
N 2.208685 0.575273 -0.659939
C -2.415944 -1.220621 0.144083
C -1.537749 -2.318717 0.697012
C -2.248351 0.217340 0.309171
C -3.320307 0.864412 -0.405072
C -0.316455 -2.681792 -0.198354
C -3.555666 -1.395298 -0.643381
C -1.306000 1.023521 1.004496
C -3.468700 2.268782 -0.443594
C -1.450002 2.423516 0.972354
C -2.518634 3.040466 0.255337
C 1.969408 -1.744209 0.136943
C 2.815176 -0.504556 -0.074123
C 4.169338 -0.502173 0.331030
C 4.932181 0.667452 0.122151
C 2.953788 1.697539 -0.854116
C 4.315892 1.789274 -0.480758
H -1.162285 -2.044922 1.701196
H -2.133309 -3.244098 0.820269
H -0.679262 -2.949869 -1.210242
H 0.211704 -3.554935 0.224592
H -4.023886 -2.318760 -0.981008
H -4.937650 0.000908 -1.537509
H -0.477995 0.563776 1.555041
H -4.289366 2.746402 -0.990941
H 0.431794 -0.693926 -0.708313
H -0.730355 3.054973 1.505239
H -2.602501 4.133103 0.249709
H 4.577809 -1.406144 0.791552
H 5.984555 0.705514 0.422442
H 2.438085 2.543349 -1.322216
H 4.871845 2.714828 -0.659752


