%chk=000194787.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194787

0 1
O 3.485463 -0.861399 -0.686378
O -1.230007 0.527931 1.332131
O 3.028066 -0.040588 1.420489
O -2.929009 -0.126748 2.560623
N 1.714867 0.476495 -0.430769
N -1.192801 0.471287 -1.035157
C 0.762452 1.326321 0.306009
C 0.797661 2.801309 -0.201473
C -0.633062 0.736973 0.111386
C -0.298287 3.613772 0.491623
C 2.176520 3.405397 0.068866
C 4.678547 -1.659155 -0.252574
C 2.774993 -0.138388 0.234910
C -2.492198 -0.090487 -1.058470
C -3.189985 -0.347692 0.152855
C 4.214351 -2.698329 0.755214
C 5.082589 -2.262137 -1.594729
C 5.714547 -0.697743 0.308134
C -2.558358 -0.026454 1.424132
C -4.490502 -0.914339 0.097951
C -3.076491 -0.386002 -2.302832
C -5.054505 -1.201783 -1.148877
C -4.352470 -0.938984 -2.333745
C -5.241110 -1.198963 1.349836
H 1.011756 1.297725 1.412410
H 0.607692 2.802626 -1.304773
H -1.303036 3.283905 0.204073
H -0.224931 4.676106 0.228249
H -0.230394 3.550282 1.585071
H 2.425813 3.397877 1.137556
H 2.970838 2.856411 -0.451215
H 2.224930 4.446734 -0.269293
H 1.576330 0.345334 -1.432414
H 3.864941 -2.222090 1.687137
H 5.019961 -3.388686 1.024626
H 3.377301 -3.292553 0.370253
H 5.315705 -1.481491 -2.330109
H 4.270062 -2.863945 -2.022383
H 5.962585 -2.905012 -1.490885
H 5.938681 0.113421 -0.393807
H 6.654039 -1.208622 0.542155
H 5.356454 -0.226522 1.239218
H -2.522011 -0.179160 -3.218599
H -6.051547 -1.636205 -1.204871
H -4.817053 -1.173610 -3.294357
H -4.693164 -1.906584 1.997289
H -5.365266 -0.289751 1.964849
H -6.239755 -1.617885 1.177064


%chk=000194787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194787

0 1
O 3.440067 -0.907531 -0.733834
O -1.436933 0.708172 1.443186
O 3.215352 0.127431 1.396962
O -3.426294 0.322557 2.533625
N 1.657114 0.420419 -0.330794
N -1.098723 0.229934 -0.883605
C 0.724305 1.244796 0.445582
C 0.773160 2.759211 0.024296
C -0.672822 0.677896 0.268492
C -0.283770 3.597149 0.781094
C 2.192717 3.323280 0.255949
C 4.744710 -1.615330 -0.396657
C 2.809386 -0.100941 0.224757
C -2.416950 -0.268979 -0.975599
C -3.309294 -0.287365 0.155885
C 4.509899 -2.594565 0.771078
C 5.046794 -2.361982 -1.707647
C 5.830542 -0.566879 -0.079802
C -2.830600 0.232594 1.448016
C -4.641855 -0.805255 0.016778
C -2.849281 -0.758866 -2.230912
C -5.032767 -1.285590 -1.254294
C -4.152895 -1.264268 -2.364701
C -5.630030 -0.856447 1.164892
H 1.011302 1.166129 1.509812
H 0.545245 2.794357 -1.061700
H -1.318034 3.295460 0.536878
H -0.175461 4.664808 0.517918
H -0.156516 3.502243 1.875564
H 2.455543 3.300845 1.329575
H 2.954811 2.741722 -0.290488
H 2.246291 4.371739 -0.090421
H 1.368348 0.115794 -1.263179
H 4.259380 -2.050636 1.695257
H 5.426349 -3.188112 0.944256
H 3.687701 -3.291345 0.529127
H 5.155201 -1.650008 -2.544061
H 4.230809 -3.064366 -1.950519
H 5.986388 -2.934183 -1.606809
H 5.924623 0.153458 -0.912060
H 6.804898 -1.072913 0.049700
H 5.590046 -0.018737 0.844680
H -2.147035 -0.729374 -3.068281
H -6.045785 -1.683819 -1.376953
H -4.494520 -1.645775 -3.332868
H -5.241351 -1.452165 2.009492
H -5.823817 0.148361 1.579568
H -6.585048 -1.294323 0.829164


