%chk=000189539.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189539

0 1
O -5.647666 0.795737 0.027755
O -7.376283 0.063391 1.279197
O 8.862090 1.728762 0.331837
O 9.345313 -0.333800 -0.099886
N -3.530033 -1.521938 0.212791
N 8.549268 0.576195 0.074390
C -4.443461 -0.974261 1.249901
C -2.176446 -1.091316 0.234704
C -4.731661 0.527044 1.129539
C -1.581152 -0.662694 1.447842
C -1.357886 -1.197779 -0.915368
C -4.197778 -1.638636 -1.112577
C 0.591585 -0.485349 0.358967
C -0.224514 -0.367723 1.500538
C -0.000538 -0.905747 -0.845519
C 2.016487 -0.162115 0.454723
C 2.967120 -0.668059 -0.349199
C 4.390881 -0.332685 -0.232929
C 4.810727 0.981033 0.054038
C 5.355289 -1.343406 -0.425935
C -6.987012 0.529923 0.232342
C 7.113383 0.262590 -0.032984
C 6.166148 1.282440 0.154609
C 6.711673 -1.052709 -0.323725
C -7.786949 0.905759 -0.973304
C -7.039237 1.093056 -2.247838
C -9.108657 1.044210 -0.840240
H -5.403475 -1.544824 1.211434
H -4.011321 -1.193352 2.255649
H -5.168477 0.931801 2.060671
H -3.849511 1.120159 0.822114
H -2.176905 -0.582374 2.354483
H -1.784628 -1.521575 -1.863320
H -4.517643 -0.662773 -1.519111
H -5.089385 -2.280006 -1.006065
H -3.530907 -2.130358 -1.840993
H 0.213802 -0.045648 2.446421
H 0.610214 -0.994283 -1.745395
H 2.279680 0.528874 1.263850
H 2.725812 -1.388421 -1.135314
H 4.070317 1.769926 0.187624
H 5.035025 -2.361774 -0.648156
H 6.502896 2.301172 0.376153
H 7.469058 -1.831431 -0.466175
H -6.124629 1.690418 -2.093760
H -6.723967 0.126488 -2.667848
H -7.638006 1.603745 -3.013964
H -9.762981 1.316775 -1.657925
H -9.630262 0.890637 0.099954


%chk=000189539-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000189539

0 1
O -5.694952 0.913540 -0.032795
O -7.625253 0.200593 1.067211
O 9.119557 1.205123 0.793980
O 9.383379 0.003266 -1.132422
N -3.638394 -1.280696 0.448274
N 8.649251 0.491015 -0.181218
C -4.544069 -0.729558 1.467336
C -2.268941 -1.004951 0.466935
C -4.942284 0.744226 1.239025
C -1.654124 -0.254187 1.523004
C -1.410023 -1.479014 -0.581984
C -4.230702 -1.997616 -0.692912
C 0.586944 -0.493524 0.491444
C -0.272825 -0.017118 1.525877
C -0.032756 -1.231362 -0.562598
C 2.015990 -0.206240 0.557317
C 2.986643 -0.599486 -0.338214
C 4.414981 -0.299231 -0.257356
C 5.004513 0.480249 0.789886
C 5.283644 -0.804688 -1.276115
C -7.066564 0.611259 0.018338
C 7.205250 0.219621 -0.209304
C 6.380830 0.739764 0.819340
C 6.663753 -0.554806 -1.262080
C -7.720680 0.851845 -1.309570
C -6.877077 1.351883 -2.463820
C -9.057896 0.605128 -1.394471
H -5.460454 -1.341969 1.501581
H -4.081242 -0.806880 2.469809
H -5.569557 1.094682 2.079050
H -4.060568 1.391050 1.111847
H -2.250967 0.144592 2.348039
H -1.828925 -2.044650 -1.418475
H -4.123607 -1.430819 -1.639525
H -5.305591 -2.146217 -0.507976
H -3.766904 -2.994076 -0.826194
H 0.162091 0.558148 2.353256
H 0.574873 -1.617309 -1.388681
H 2.323219 0.389273 1.429456
H 2.687947 -1.200552 -1.208070
H 4.376456 0.888243 1.588060
H 4.854569 -1.403593 -2.088083
H 6.838204 1.334016 1.614884
H 7.329649 -0.939923 -2.038681
H -6.402261 2.318448 -2.218509
H -6.054117 0.650019 -2.690176
H -7.492538 1.479238 -3.370140
H -9.607704 0.760641 -2.328810
H -9.615368 0.247702 -0.521775


