%chk=000201945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201945

1 1
O 0.875383 -2.578556 0.776546
O -6.163837 -1.605329 0.143578
O -5.826056 -0.619482 2.045996
N 1.071589 2.778326 0.143139
N 0.912459 -0.634275 -0.428090
N -5.452088 -1.171488 1.027719
C 0.054297 1.631866 0.188397
C 2.498244 2.209186 0.260924
C 0.799832 3.722488 1.331827
C 0.933181 3.537018 -1.157862
C 0.197770 0.562021 -0.918746
C 3.574958 3.267389 0.395027
C -0.591934 4.323898 1.337678
C 2.290557 -0.823478 -0.847213
C 0.245398 -1.661892 0.307323
C -1.239230 -1.500317 0.477473
C 3.246423 -1.233499 0.096312
C 2.655777 -0.593057 -2.185498
C 4.573892 -1.403678 -0.307011
C 3.989143 -0.760244 -2.566594
C -2.100501 -1.935607 -0.537065
C -1.739674 -0.996580 1.685584
C 4.950180 -1.156889 -1.630544
C -3.483141 -1.841347 -0.356146
C -3.119565 -0.897176 1.871430
C -3.977101 -1.304713 0.839828
H 0.117089 1.144074 1.192134
H -0.972038 2.070447 0.130941
H 2.528354 1.507054 1.129354
H 2.706842 1.581961 -0.643494
H 0.980719 3.153237 2.275133
H 1.559795 4.542725 1.310102
H -0.096435 3.911585 -1.307725
H 1.607365 4.414798 -1.186793
H 1.188424 2.903641 -2.028258
H -0.830135 0.281413 -1.264171
H 0.697783 0.977892 -1.824496
H 4.572373 2.785139 0.387460
H 3.593987 3.988463 -0.433228
H 3.533112 3.831014 1.336944
H -0.712224 4.984480 2.218519
H -0.800605 4.961362 0.467026
H -1.399316 3.583371 1.416378
H 2.951257 -1.474847 1.119638
H 1.911261 -0.335892 -2.935459
H 5.317560 -1.744757 0.417256
H 4.278624 -0.597348 -3.606863
H -1.701077 -2.372410 -1.456437
H -1.061945 -0.723151 2.495491
H 5.987722 -1.296319 -1.938919
H -4.180150 -2.187640 -1.131889
H -3.539696 -0.517479 2.812145


%chk=000201945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201945

1 1
O 1.195761 -1.694214 1.340122
O -5.998489 -2.387482 0.506182
O -5.665436 -1.973398 2.727849
N 1.043871 2.777101 0.269390
N 0.821130 -0.387069 -0.582394
N -5.254305 -2.082178 1.512298
C -0.197338 1.925492 -0.107972
C 1.836773 2.033181 1.391638
C 0.533002 4.127591 0.857248
C 1.933929 3.028869 -0.939602
C -0.009376 0.738591 -1.083974
C 3.208071 2.622344 1.735911
C -0.062280 5.114152 -0.154532
C 2.142082 -0.577524 -1.175928
C 0.385334 -1.145866 0.537345
C -1.100599 -1.312043 0.743516
C 3.296756 -0.858708 -0.396831
C 2.261062 -0.493950 -2.590344
C 4.546393 -1.034061 -1.034621
C 3.516442 -0.658537 -3.212430
C -1.967531 -1.674581 -0.322427
C -1.603200 -1.249726 2.069486
C 4.669025 -0.923734 -2.436757
C -3.327806 -1.941645 -0.074392
C -2.965098 -1.493889 2.330047
C -3.806744 -1.825770 1.247538
H -0.628751 1.578556 0.847278
H -0.915111 2.620234 -0.576329
H 1.167548 2.041187 2.270588
H 1.947097 0.994830 1.049186
H -0.210911 3.850943 1.625048
H 1.398759 4.581692 1.365420
H 1.318365 3.389743 -1.776503
H 2.680324 3.792895 -0.679755
H 2.442077 2.094405 -1.220668
H -1.037368 0.405238 -1.307973
H 0.415367 1.089572 -2.035696
H 3.617236 2.025976 2.570699
H 3.926485 2.537565 0.904425
H 3.173848 3.669270 2.081809
H -0.422621 5.991029 0.411959
H 0.680157 5.485239 -0.879602
H -0.931893 4.715012 -0.703854
H 3.211074 -0.993877 0.682622
H 1.373016 -0.356873 -3.218029
H 5.425407 -1.267933 -0.424878
H 3.587040 -0.607075 -4.303826
H -1.568726 -1.804063 -1.334972
H -0.911786 -1.044169 2.892969
H 5.640383 -1.063435 -2.921135
H -4.013686 -2.242628 -0.870699
H -3.380156 -1.448884 3.340354


