%chk=000268309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268309

0 1
O 3.290592 -3.213211 1.177862
N 4.058416 -1.213123 0.386841
N -4.905876 1.675847 0.458577
C 2.482969 0.546730 -0.230131
C 3.822687 0.085599 -0.094422
C 1.388728 -0.340309 0.125164
C 1.642254 -1.586652 0.596758
C 2.992242 -2.107741 0.761316
C 2.258964 1.865141 -0.699049
C -0.001476 0.122354 -0.058731
C 4.899278 0.950531 -0.446247
C -2.254378 0.719957 0.770126
C -3.239309 -0.113527 0.137187
C -0.867812 0.247316 0.951232
C 5.449025 -1.713400 0.530745
C 3.312510 2.693704 -1.033284
C 4.639634 2.226211 -0.906086
C -4.558792 0.407335 0.000620
C -2.617886 1.968505 1.224647
C -2.968391 -1.429313 -0.350726
C -5.577823 -0.384042 -0.625520
C -3.967222 2.411683 1.044689
C -3.959811 -2.169138 -0.944883
C -5.277638 -1.640126 -1.085052
H 0.849460 -2.282727 0.876124
H 1.232731 2.226749 -0.792020
H -0.275163 0.349544 -1.094627
H 5.928073 0.609869 -0.353067
H -0.594590 0.021237 1.987864
H 6.019726 -1.098753 1.245307
H 5.966116 -1.732296 -0.442036
H 5.431684 -2.754174 0.922408
H 3.132224 3.704069 -1.393596
H 5.464489 2.888249 -1.175450
H -1.904310 2.627187 1.713743
H -1.961665 -1.833417 -0.238901
H -6.577774 0.043904 -0.717194
H -4.263084 3.407232 1.401128
H -3.758618 -3.172885 -1.317848
H -6.039682 -2.256017 -1.562968


%chk=000268309-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268309

0 1
O 3.647590 -2.206238 2.713548
N 4.198823 -0.876015 0.849053
N -5.141474 1.163077 1.164458
C 2.426396 0.317436 -0.385343
C 3.814633 -0.019881 -0.197927
C 1.428659 -0.267703 0.516189
C 1.861213 -1.116062 1.524746
C 3.259178 -1.448189 1.766068
C 2.083603 1.222407 -1.430509
C -0.008946 0.010535 0.327887
C 4.793264 0.531581 -1.075441
C -2.376766 0.302031 1.230119
C -3.212233 -0.016073 0.083636
C -0.934542 0.017616 1.339773
C 5.620065 -1.220874 1.053640
C 3.055442 1.762881 -2.286709
C 4.416201 1.406898 -2.106814
C -4.584475 0.465217 0.096602
C -2.994445 0.953216 2.316904
C -2.791074 -0.816744 -1.028977
C -5.438090 0.206123 -1.023554
C -4.356539 1.364578 2.240950
C -3.653083 -1.072375 -2.099705
C -4.979831 -0.539976 -2.110488
H 1.154613 -1.619266 2.189789
H 1.038386 1.517555 -1.562548
H -0.338219 0.261559 -0.686478
H 5.848392 0.278982 -0.949250
H -0.568461 -0.103679 2.369796
H 6.219392 -0.315647 1.257287
H 6.030214 -1.742140 0.170422
H 5.663244 -1.890057 1.926224
H 2.765763 2.456071 -3.082474
H 5.184002 1.819727 -2.770138
H -2.413778 1.189600 3.215375
H -1.796941 -1.271742 -1.021265
H -6.457760 0.600085 -0.975281
H -4.817155 1.893268 3.083802
H -3.314299 -1.698915 -2.932116
H -5.640462 -0.740765 -2.960755


