%chk=000297181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297181

0 1
O -1.395450 -0.077167 0.024689
O -0.945892 1.940301 0.959543
O 5.797817 0.265668 0.024666
O 5.191439 -1.605288 -0.877667
N 4.955170 -0.532457 -0.348512
C -2.836434 0.094744 0.154732
C -3.530825 -1.262464 -0.192691
C -3.335809 0.002302 1.611345
C -4.082351 -1.308157 1.258745
C -3.367038 1.183974 -0.767422
C -4.530262 -0.955573 -1.308786
C -4.628554 0.583818 -1.419453
C -0.553478 0.909062 0.466335
C 0.867727 0.505099 0.240899
C 1.874284 1.391304 0.655148
C 1.190754 -0.717181 -0.364600
C 3.215177 1.055307 0.464018
C 2.529797 -1.061069 -0.559683
C 3.527650 -0.169538 -0.142428
H -2.851860 -2.091080 -0.438356
H -3.974111 0.832522 1.933238
H -2.539562 -0.108562 2.356204
H -3.758780 -2.182458 1.833106
H -5.172863 -1.238285 1.334817
H -2.611086 1.443965 -1.531368
H -3.581617 2.120044 -0.223470
H -5.516812 -1.405023 -1.108060
H -4.181537 -1.388050 -2.263623
H -4.721997 0.901464 -2.470561
H -5.533959 0.946262 -0.900956
H 1.600235 2.342159 1.126067
H 0.390289 -1.395009 -0.680843
H 4.017316 1.732254 0.779826
H 2.805322 -2.011389 -1.030900


%chk=000297181-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297181

0 1
O -1.368363 -0.207524 -0.033432
O -0.915961 1.848248 0.984128
O 5.939864 0.440251 0.096315
O 5.395026 -1.523777 -0.926896
N 5.081016 -0.420140 -0.336181
C -2.838993 0.011632 0.128645
C -3.668905 -1.291859 -0.162458
C -3.344713 0.023281 1.607177
C -4.320052 -1.159125 1.266149
C -3.367772 1.101505 -0.831588
C -4.579660 -0.964707 -1.365084
C -4.759157 0.579551 -1.288850
C -0.520685 0.787345 0.439780
C 0.922029 0.438118 0.223942
C 1.902715 1.358188 0.677522
C 1.315776 -0.766375 -0.415246
C 3.270530 1.083917 0.498679
C 2.680985 -1.053201 -0.602271
C 3.636508 -0.121279 -0.140718
H -3.062601 -2.203325 -0.288152
H -3.798200 0.970227 1.940041
H -2.556773 -0.259567 2.324780
H -4.223542 -2.048401 1.909093
H -5.382872 -0.864639 1.230499
H -2.688127 1.155061 -1.704180
H -3.398060 2.097965 -0.361897
H -5.540275 -1.509774 -1.327950
H -4.073467 -1.238933 -2.311096
H -5.074440 1.021744 -2.249949
H -5.531927 0.839281 -0.540176
H 1.569442 2.279167 1.165739
H 0.547391 -1.463030 -0.758896
H 4.048478 1.772334 0.837964
H 3.017484 -1.970659 -1.091437


