%chk=000205671.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205671

0 1
O 1.601060 1.448212 0.032427
O -1.774549 -2.526907 1.089563
O -0.404638 1.791936 0.905396
N 0.609756 -0.230099 1.434194
N -2.382510 -0.408172 0.462660
C 1.555762 -1.295903 0.993198
C -0.597741 -0.703836 2.145933
C 2.713786 -0.722169 0.233576
C -4.821595 -0.324037 0.009295
C -3.457151 -0.850789 -0.460000
C 2.690838 0.609509 -0.199394
C -1.639477 -1.317940 1.190397
C -5.934095 -0.756893 -0.954728
C 0.515860 1.008961 0.793744
C 3.844383 -1.492214 -0.072853
C 3.742093 1.199708 -0.912214
C -7.297517 -0.237147 -0.506072
C 4.904634 -0.928676 -0.786683
C 4.854295 0.409703 -1.202380
H 1.020870 -2.056604 0.368713
H 1.915354 -1.824312 1.911123
H -0.304292 -1.481771 2.891410
H -1.036833 0.140079 2.731955
H -4.802580 0.779900 0.092538
H -5.039492 -0.697219 1.029774
H -3.464322 -1.967372 -0.507807
H -3.221825 -0.482616 -1.483683
H -5.961959 -1.862755 -1.026196
H -5.713702 -0.391252 -1.977164
H -2.232558 0.601377 0.553379
H 3.894985 -2.533215 0.246590
H 3.673750 2.241634 -1.221706
H -8.087667 -0.551892 -1.197551
H -7.565990 -0.611531 0.488747
H -7.319480 0.857811 -0.460627
H 5.779381 -1.533483 -1.021789
H 5.690167 0.837976 -1.756762


%chk=000205671-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205671

0 1
O 1.635274 1.341590 -0.359120
O -1.965211 -2.542665 1.133026
O -0.448362 1.759391 0.512172
N 0.575895 -0.274374 1.042232
N -2.457165 -0.388100 0.346086
C 1.530454 -1.345312 0.658245
C -0.572523 -0.657993 1.896432
C 2.833278 -0.750885 0.165406
C -4.959635 -0.341391 0.091437
C -3.598593 -0.781791 -0.496340
C 2.832145 0.569400 -0.329718
C -1.736700 -1.292713 1.093681
C -6.142384 -0.739218 -0.820478
C 0.517236 0.957029 0.420087
C 4.048043 -1.472108 0.147393
C 3.991090 1.180841 -0.843686
C -7.507739 -0.300847 -0.248685
C 5.224698 -0.883378 -0.367232
C 5.193594 0.442470 -0.863447
H 1.072222 -1.996744 -0.116572
H 1.703236 -1.978853 1.546750
H -0.227030 -1.408530 2.625328
H -0.917252 0.244043 2.429796
H -4.962301 0.757735 0.241337
H -5.084211 -0.801788 1.090956
H -3.566099 -1.881714 -0.590996
H -3.468527 -0.344846 -1.506299
H -6.137012 -1.838313 -0.967005
H -5.999817 -0.289049 -1.824430
H -2.151608 0.595461 0.367553
H 4.070651 -2.498466 0.532629
H 3.934877 2.208637 -1.213179
H -8.338257 -0.596193 -0.915683
H -7.688645 -0.760894 0.740895
H -7.550443 0.797260 -0.120819
H 6.159758 -1.452413 -0.379753
H 6.104065 0.902721 -1.260995


