%chk=000187568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187568

0 1
O -0.683650 -1.931983 -0.203391
O -2.616923 1.381800 -1.556344
O -2.841340 -0.851921 1.277752
O -0.455353 3.285700 -1.248192
O -0.558522 0.630700 3.121973
O 0.457875 -1.741204 -2.152285
O 3.260220 -1.824224 -0.402755
N 1.248568 0.014927 0.541880
N 1.300521 1.874231 -1.007844
N 3.236613 0.477933 -0.699669
C -0.183236 0.255128 0.784538
C -0.553499 1.764735 0.659989
C -2.914503 1.123661 -0.173407
C -1.026398 -0.527947 -0.263723
C -2.063752 1.998651 0.762846
C -2.540959 -0.391077 -0.045440
C 0.031311 2.381196 -0.601698
C -0.388984 -0.211599 2.269596
C -4.406200 1.362637 0.044110
C 1.879029 0.727608 -0.345809
C -0.323543 -1.671232 2.523231
C 0.214088 -2.395981 -1.167333
C 0.721108 -3.723689 -0.749490
C 3.864505 -0.810163 -0.645211
C 5.332402 -0.737313 -0.953626
H -0.076186 2.298518 1.538326
H -0.793824 -0.147109 -1.301284
H -2.368233 1.789701 1.817280
H -2.286049 3.071447 0.589067
H -3.096410 -1.005354 -0.788362
H -4.732615 1.074651 1.048550
H -4.666074 2.420144 -0.092685
H -5.002552 0.806176 -0.691382
H -2.413341 2.333766 -1.716788
H 1.704477 2.235549 -1.876174
H -3.807406 -0.971809 1.384774
H -1.188990 -2.176010 2.045166
H 0.575179 -2.117168 2.062917
H -0.332387 -1.907124 3.593584
H 3.795427 1.294457 -0.958644
H 0.122091 -4.180232 0.051978
H 1.755324 -3.597776 -0.358529
H 0.774546 -4.422602 -1.596085
H 5.777843 -1.745762 -0.885556
H 5.884616 -0.101625 -0.247496
H 5.534686 -0.374211 -1.970952


%chk=000187568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187568

0 1
O -0.706680 -1.979240 -0.224316
O -2.666870 1.416806 -1.629850
O -2.926805 -0.874484 1.294355
O -0.455421 3.225624 -1.347465
O -0.684425 0.733316 3.188249
O 0.581199 -1.629368 -2.151339
O 3.357265 -1.912635 -0.260150
N 1.232715 -0.046794 0.614383
N 1.295162 1.759859 -0.982639
N 3.208054 0.414782 -0.629024
C -0.212434 0.245744 0.833268
C -0.561030 1.758665 0.651489
C -2.942268 1.143055 -0.199207
C -1.058259 -0.543288 -0.220450
C -2.082927 2.029419 0.733128
C -2.564900 -0.366635 -0.034072
C 0.060303 2.315527 -0.631181
C -0.428217 -0.161414 2.341496
C -4.444489 1.369298 0.057209
C 1.861553 0.658653 -0.272160
C -0.193935 -1.602675 2.720113
C 0.206360 -2.383675 -1.226363
C 0.659405 -3.799893 -0.990594
C 3.894678 -0.825703 -0.574309
C 5.369242 -0.693006 -0.955536
H -0.089199 2.291305 1.505986
H -0.812396 -0.142336 -1.222044
H -2.392184 1.849736 1.776089
H -2.275559 3.093463 0.500330
H -3.084672 -0.933882 -0.833041
H -4.725144 1.161271 1.106529
H -4.708903 2.419571 -0.157939
H -5.043680 0.731189 -0.617499
H -2.243697 2.314154 -1.720077
H 1.689965 2.060957 -1.879810
H -3.905632 -1.003518 1.340497
H -0.998463 -2.222265 2.287654
H 0.759738 -1.947907 2.285833
H -0.185876 -1.700337 3.816881
H 3.752901 1.223572 -0.938433
H -0.054117 -4.353804 -0.362961
H 1.634431 -3.744750 -0.471337
H 0.813999 -4.311760 -1.953429
H 5.836813 -1.686363 -0.906618
H 5.899745 -0.014364 -0.262255
H 5.484151 -0.297671 -1.981986


