%chk=000228439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228439

0 1
O -1.179833 -1.162449 0.955265
O -2.168644 -0.923362 -1.125934
O 2.525947 -1.492537 -0.860618
N 1.030380 0.848672 -0.319967
N 2.311647 0.630758 0.173917
N 4.386864 -0.432771 0.079025
C -2.169629 0.972154 0.430828
C -1.126394 1.906817 -0.283905
C -3.614274 1.375897 0.064786
C 0.272347 1.742777 0.280377
C -1.874071 -0.458743 -0.019071
C 0.675072 2.538568 1.513607
C -0.624161 -2.496492 0.541797
C -1.689565 -3.592693 0.617343
C 3.032273 -0.506642 -0.266358
H -2.016487 1.026650 1.524420
H -1.124237 1.658694 -1.359879
H -1.465797 2.954108 -0.170722
H -3.821889 2.410050 0.395029
H -3.764116 1.314982 -1.027252
H -4.350411 0.706079 0.543631
H 1.091006 1.886617 2.308763
H -0.195348 3.062543 1.939531
H 1.437577 3.308047 1.274502
H -0.199970 -2.388402 -0.470357
H 0.193091 -2.660275 1.262118
H -1.218579 -4.576092 0.430802
H -2.159606 -3.621524 1.616541
H -2.470319 -3.432623 -0.144054
H 2.690430 1.185440 0.952365
H 4.858413 0.448507 0.274805
H 4.952680 -1.251855 -0.131236


%chk=000228439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228439

0 1
O -1.206173 -1.091434 0.941751
O -2.395803 -1.066904 -1.067220
O 3.251333 -0.266546 -1.987924
N 1.206603 0.996288 -0.503318
N 2.449836 0.684229 0.031062
N 4.645989 -0.106507 -0.125375
C -2.211625 0.999071 0.288014
C -1.037320 1.844373 -0.324128
C -3.572500 1.477909 -0.259143
C 0.314630 1.551667 0.291863
C -1.985320 -0.473925 -0.044261
C 0.540438 1.878398 1.760259
C -0.810870 -2.512930 0.678271
C -1.891269 -3.478050 1.173483
C 3.430324 0.080866 -0.794567
H -2.184146 1.102080 1.388890
H -0.981656 1.657741 -1.410901
H -1.296592 2.912008 -0.171952
H -3.715665 2.552782 -0.046158
H -3.625140 1.322560 -1.350381
H -4.407816 0.919477 0.199035
H 0.611409 0.954156 2.368487
H -0.296611 2.471211 2.162694
H 1.466245 2.468713 1.917947
H -0.630949 -2.627792 -0.404506
H 0.134648 -2.626643 1.232638
H -1.547955 -4.521053 1.041177
H -2.105435 -3.318253 2.244671
H -2.822589 -3.347653 0.597695
H 2.656162 0.845048 1.025323
H 4.853910 0.253635 0.803800
H 5.388303 -0.553621 -0.657126


