%chk=000213179.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213179

0 1
O 1.968091 0.909558 0.392002
O -3.755993 -1.215758 -1.029161
O 2.454255 -0.530324 -1.329145
O -5.584505 0.017652 -1.531393
N -4.294713 0.533583 0.361634
N 3.825936 -0.355687 0.572426
C -0.420591 0.538690 0.807231
C -1.804738 0.885555 0.201807
C -0.206654 -0.985732 0.948508
C 0.635472 1.149563 -0.153139
C -0.258651 1.195988 2.189129
C -2.974244 0.303092 1.007999
C -0.409361 -1.782753 -0.346537
C -0.218183 -3.280097 -0.112847
C -4.893341 1.883519 0.514241
C 2.742705 -0.043623 -0.255975
C -4.625385 -0.156515 -0.804833
C 5.031943 -0.954466 -0.056884
C 6.003780 0.088420 -0.629467
C 6.704480 0.906995 0.449170
H -1.912877 1.982911 0.119829
H -1.857738 0.492820 -0.837051
H 0.819359 -1.164699 1.331426
H -0.881987 -1.380849 1.731650
H 0.591938 2.251465 -0.185339
H 0.568577 0.733386 -1.175876
H -0.506116 2.261420 2.167366
H -0.890724 0.723276 2.946182
H 0.782434 1.112983 2.531860
H -2.849084 -0.803094 1.122356
H -3.010605 0.738695 2.029732
H 0.311356 -1.437104 -1.119543
H -1.423987 -1.597894 -0.757577
H 0.787554 -3.502889 0.262074
H -0.938249 -3.674334 0.611832
H -0.347481 -3.840990 -1.045458
H -5.860426 1.935999 -0.024492
H -4.242163 2.684016 0.129487
H -5.094278 2.066170 1.583380
H 4.006435 0.271939 1.358752
H 5.529947 -1.575102 0.722311
H 4.702519 -1.651584 -0.865567
H 5.466398 0.761534 -1.328588
H 6.759211 -0.434847 -1.251287
H -4.091623 -1.792033 -1.769644
H 7.234031 0.268683 1.166106
H 7.447106 1.583937 0.008083
H 6.001869 1.529126 1.014530


%chk=000213179-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000213179

0 1
O 2.000405 0.817758 0.595959
O -4.082950 -1.061711 -1.294841
O 2.640587 -0.509990 -1.261997
O -5.868786 0.422481 -1.601735
N -4.311425 0.730454 0.141517
N 4.064461 -0.127280 0.567099
C -0.464999 0.443092 0.873232
C -1.798139 0.827185 0.155297
C -0.287697 -1.102753 1.008634
C 0.662591 1.052399 -0.003029
C -0.399279 1.083594 2.286976
C -3.078495 0.270683 0.822209
C -0.421574 -1.943504 -0.283980
C -0.198098 -3.447163 -0.007855
C -4.946613 1.973031 0.608523
C 2.893055 0.005302 -0.140840
C -4.841547 0.087355 -0.949597
C 5.220598 -0.860545 0.025989
C 6.233085 0.040608 -0.721766
C 6.889644 1.107669 0.179214
H -1.871914 1.933853 0.110474
H -1.778634 0.463233 -0.889655
H 0.710643 -1.289637 1.455353
H -1.021287 -1.475050 1.753808
H 0.554966 2.151532 -0.053304
H 0.658917 0.631807 -1.024279
H -0.594172 2.172684 2.242051
H -1.137795 0.630457 2.973297
H 0.602859 0.936319 2.726381
H -3.061039 -0.830386 0.811730
H -3.145756 0.604084 1.874215
H 0.320757 -1.604885 -1.031437
H -1.425709 -1.802790 -0.729826
H 0.816313 -3.629114 0.395006
H -0.928325 -3.833167 0.729424
H -0.303959 -4.043864 -0.932400
H -5.791023 2.209336 -0.056577
H -4.225965 2.812269 0.589414
H -5.323892 1.852864 1.641688
H 4.137745 0.375050 1.451857
H 5.724609 -1.380050 0.863909
H 4.825687 -1.626788 -0.663439
H 5.714397 0.524535 -1.570933
H 7.014297 -0.614730 -1.155837
H -4.536723 -1.482133 -2.069625
H 7.428747 0.641123 1.026306
H 7.618608 1.713552 -0.388358
H 6.134524 1.801834 0.593052


