%chk=000186492.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186492

0 1
O -2.271834 -2.629802 0.665914
O -1.921188 -1.381092 -1.194773
N -5.041157 1.178519 -0.059285
N -4.724627 -1.304149 2.620138
C 3.006050 -0.756557 -0.389464
C 4.224412 -0.118131 0.290916
C 2.170944 -1.573447 0.605937
C 5.059778 0.697518 -0.705212
C 0.949194 -2.201221 -0.075935
C 6.277101 1.337613 -0.024788
C 0.118150 -3.029632 0.910863
C 7.113982 2.153324 -1.020383
C -1.181716 -3.535896 0.295037
C 8.326996 2.793080 -0.348346
C -2.531588 -1.565424 -0.157130
C -3.617022 -0.732303 0.369468
C -4.006744 0.356608 -0.389341
C -5.338441 2.409558 -0.834474
C -4.632469 3.624893 -0.242906
C -4.216269 -1.061726 1.607473
H 3.336628 -1.404430 -1.224067
H 2.376672 0.028940 -0.851103
H 3.892855 0.531001 1.124104
H 4.852164 -0.904074 0.753224
H 2.796989 -2.363276 1.063454
H 1.843579 -0.925489 1.442015
H 5.392134 0.047601 -1.537546
H 4.431392 1.482218 -1.168722
H 0.311784 -1.409986 -0.527474
H 1.271462 -2.835338 -0.923981
H 6.905935 0.553680 0.439205
H 5.946159 1.987694 0.807681
H -0.124490 -2.423148 1.809909
H 0.713369 -3.885836 1.283717
H 6.486240 2.939017 -1.484327
H 7.447791 1.502879 -1.852423
H -1.143854 -3.628747 -0.804395
H -1.536034 -4.477134 0.753775
H 8.917972 3.372345 -1.066341
H 8.029589 3.473787 0.457330
H 8.990192 2.038362 0.089437
H -3.468859 0.555540 -1.339663
H -5.045468 2.269040 -1.900669
H -6.444702 2.557992 -0.828608
H -5.523451 1.073545 0.832867
H -4.871399 4.534105 -0.810366
H -3.539773 3.514393 -0.254460
H -4.924226 3.809686 0.799217


%chk=000186492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186492

0 1
O -2.108796 -2.463385 0.868198
O -2.481151 -1.837466 -1.365995
N -4.939812 1.320255 -0.060114
N -3.864975 -0.231320 3.028750
C 2.947165 -0.594307 -0.183434
C 4.408957 -0.317336 0.234531
C 2.320060 -1.805194 0.542808
C 5.031211 0.897240 -0.490441
C 0.856773 -2.070614 0.123675
C 6.491523 1.181245 -0.071723
C 0.231501 -3.273243 0.862923
C 7.109200 2.399811 -0.795041
C -1.211457 -3.578513 0.440308
C 8.567880 2.677819 -0.371518
C -2.666109 -1.661687 -0.130443
C -3.500450 -0.594864 0.453885
C -4.139565 0.285290 -0.423890
C -5.598753 2.247136 -1.000976
C -5.147234 3.707459 -0.797250
C -3.669161 -0.437123 1.862725
H 2.904936 -0.762262 -1.280055
H 2.332434 0.308470 0.015509
H 4.450594 -0.150406 1.331391
H 5.025322 -1.218967 0.034409
H 2.932015 -2.710088 0.342424
H 2.362655 -1.637456 1.639469
H 4.991174 0.729412 -1.587343
H 4.412298 1.797539 -0.291969
H 0.251208 -1.164613 0.324411
H 0.808114 -2.242857 -0.970909
H 7.113247 0.283467 -0.272698
H 6.533214 1.347704 1.025282
H 0.257929 -3.098847 1.956412
H 0.833674 -4.185991 0.670056
H 6.486798 3.295697 -0.593383
H 7.066461 2.232747 -1.890930
H -1.302676 -3.701908 -0.653995
H -1.606287 -4.468435 0.959280
H 8.985505 3.553894 -0.901362
H 8.633575 2.876595 0.715058
H 9.216490 1.808723 -0.591777
H -3.982041 0.125014 -1.496973
H -5.362516 1.910118 -2.025561
H -6.696876 2.170851 -0.876954
H -5.087004 1.485225 0.942417
H -5.672836 4.369330 -1.508605
H -4.060673 3.811962 -0.959544
H -5.379341 4.059980 0.224460


