%chk=000213306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213306

0 1
O 5.324929 0.794807 0.320657
O -0.001991 -0.096123 -1.561350
N 2.822738 -0.454932 -0.296533
N -0.309291 0.396651 0.661044
C 1.524896 -1.138479 0.040942
C -1.521675 1.281441 0.542914
C 2.877786 0.943036 0.248284
C 3.982336 -1.247078 0.237220
C 0.344219 -0.235173 -0.403930
C 4.216015 1.579909 -0.161767
C 5.287496 -0.554933 -0.185323
C 1.402136 -2.444017 -0.750512
C -2.747789 0.375360 0.369596
C -1.386765 2.241797 -0.646923
C -1.578762 2.116212 1.839101
C -2.934272 -0.296415 -0.850324
C -3.683738 0.185857 1.394579
C -4.038465 -1.127905 -1.043868
C -4.791544 -0.646961 1.200296
C -4.973610 -1.304257 -0.018470
H 1.446583 -1.366912 1.136363
H 2.760414 0.986525 1.351160
H 2.049300 1.533742 -0.203409
H 3.943801 -2.267770 -0.202755
H 3.957532 -1.359489 1.342338
H 4.297511 1.681142 -1.259238
H 4.381219 2.554380 0.329141
H 6.174654 -1.012550 0.285222
H 5.401090 -0.531858 -1.284045
H -0.023563 0.188159 1.614893
H 2.185107 -3.162491 -0.487991
H 1.486360 -2.243321 -1.832780
H 0.430070 -2.922015 -0.584289
H -1.218786 1.699760 -1.594343
H -0.539777 2.924408 -0.528494
H -2.294157 2.841350 -0.772490
H -1.664829 1.501247 2.740786
H -0.687079 2.744921 1.948596
H -2.442759 2.793100 1.821002
H -2.199170 -0.174370 -1.655394
H -3.567570 0.681491 2.356390
H -4.169697 -1.639930 -1.995757
H -5.512802 -0.781330 2.003989
H -5.835804 -1.950088 -0.169629


%chk=000213306-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213306

0 1
O 5.569568 0.728575 -0.099516
O 0.225057 0.131137 -1.497308
N 2.896207 -0.424749 -0.256898
N -0.358838 0.439952 0.759296
C 1.602410 -0.953793 0.242990
C -1.618719 1.260572 0.669382
C 3.109287 0.999513 0.114104
C 4.069029 -1.240446 0.152142
C 0.431562 -0.060435 -0.261452
C 4.405417 1.525618 -0.521010
C 5.351626 -0.675306 -0.480855
C 1.323556 -2.393501 -0.247906
C -2.825962 0.341313 0.337287
C -1.471681 2.374240 -0.403891
C -1.753881 1.939675 2.055665
C -2.867559 -0.336837 -0.913155
C -3.905458 0.154066 1.237178
C -3.952018 -1.176604 -1.243364
C -4.994548 -0.685755 0.905263
C -5.023246 -1.356119 -0.336548
H 1.590018 -0.951770 1.370185
H 3.167240 1.128428 1.226190
H 2.260959 1.600351 -0.260218
H 3.938639 -2.279424 -0.196395
H 4.187565 -1.258921 1.266792
H 4.311018 1.495421 -1.627411
H 4.617753 2.556626 -0.192898
H 6.240552 -1.221523 -0.123774
H 5.280912 -0.756145 -1.586993
H -0.097191 0.156894 1.707736
H 2.023046 -3.125430 0.190769
H 1.403358 -2.422214 -1.347476
H 0.300518 -2.699916 0.035302
H -1.303624 1.953974 -1.405407
H -0.615261 3.028166 -0.157260
H -2.391383 2.985548 -0.417135
H -1.830181 1.202459 2.877721
H -0.870828 2.576239 2.240772
H -2.649258 2.582727 2.088978
H -2.041991 -0.210245 -1.621612
H -3.915113 0.662890 2.205983
H -3.961170 -1.689979 -2.211578
H -5.818478 -0.812335 1.617097
H -5.866612 -2.006041 -0.595874


