%chk=000104696.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000104696

0 1
O 3.148092 -4.082737 -3.273218
N -1.378952 -0.512046 -0.531697
N 2.171411 -1.755710 -0.619539
C -0.068132 -0.892012 -1.151495
C 0.808593 -1.520229 -0.044964
C -1.986119 0.684910 -1.203444
C -2.333660 -1.670593 -0.552389
C 3.239177 -1.694642 0.432761
C 2.244582 -3.043235 -1.376658
C -1.134220 1.915723 -1.000888
C -3.530880 -1.400426 0.328665
C 3.372559 -0.301304 1.003098
C 3.144883 -2.804541 -2.599836
C -0.955573 2.817248 -2.060924
C -3.363369 -0.858293 1.612182
C -0.546041 2.184485 0.244595
C -4.817677 -1.724821 -0.125464
C 3.676859 -0.142497 2.363811
C 3.230537 0.831323 0.187742
C -0.196934 3.976518 -1.873276
C -4.473541 -0.643523 2.431655
C 0.217203 3.340037 0.424175
C -5.925201 -1.511585 0.700803
C 3.838460 1.138284 2.899828
C 3.384744 2.109109 0.730556
C 0.391782 4.239823 -0.633031
C -5.756294 -0.971339 1.979002
C 3.691711 2.265857 2.086271
H 0.448199 0.017780 -1.536808
H -0.167872 -1.576618 -2.017852
H 0.876857 -0.800003 0.803624
H 0.337749 -2.436244 0.365616
H -2.185071 0.514173 -2.284165
H -2.981533 0.870742 -0.727035
H -2.654414 -1.945161 -1.581955
H -1.797988 -2.562354 -0.145952
H 4.210567 -1.964308 -0.047942
H 3.077342 -2.436794 1.246487
H 2.633329 -3.900342 -0.786171
H 1.238432 -3.359619 -1.729800
H 4.179665 -2.543804 -2.321220
H 2.732356 -2.033994 -3.272990
H -1.406187 2.620670 -3.030875
H -2.361859 -0.595806 1.956192
H -0.679965 1.477377 1.064718
H -4.960577 -2.143544 -1.118991
H 3.788210 -1.012258 3.007143
H 2.983862 0.707363 -0.868034
H -0.064271 4.674841 -2.697340
H -4.339771 -0.219615 3.425412
H 0.679929 3.537490 1.390003
H -6.922009 -1.766555 0.345642
H 4.077193 1.256566 3.955089
H 3.259677 2.984540 0.094623
H 3.645079 -4.020614 -4.108240
H 0.981948 5.141570 -0.489766
H -6.619338 -0.805234 2.619698
H 3.815762 3.261170 2.506072


%chk=000104696-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104696

0 1
O 3.006510 -4.352465 -3.071717
N -1.409881 -0.403381 -0.646201
N 2.131773 -1.819182 -0.463328
C -0.030426 -0.720139 -1.096697
C 0.806695 -1.368817 0.028126
C -2.008140 0.762496 -1.342868
C -2.308342 -1.583137 -0.670917
C 3.181062 -1.815216 0.582880
C 2.100096 -3.083842 -1.238277
C -1.312375 2.084301 -1.033319
C -3.555868 -1.421849 0.194103
C 3.589351 -0.416702 1.041542
C 3.065219 -3.026806 -2.430393
C -1.220101 3.091393 -2.026224
C -3.480740 -0.795778 1.464273
C -0.790390 2.349972 0.257796
C -4.800163 -1.944160 -0.237228
C 3.999472 -0.197626 2.380245
C 3.610576 0.671402 0.133448
C -0.629647 4.342550 -1.735049
C -4.624865 -0.698344 2.285934
C -0.191621 3.594934 0.549836
C -5.947064 -1.852126 0.584694
C 4.435422 1.079203 2.802732
C 4.037961 1.950032 0.554023
C -0.112132 4.598641 -0.444389
C -5.862779 -1.228466 1.850602
C 4.456149 2.158660 1.889567
H 0.469207 0.219685 -1.386792
H -0.035092 -1.375377 -2.003018
H 0.965860 -0.606699 0.810543
H 0.238064 -2.204607 0.505655
H -2.036365 0.613946 -2.452578
H -3.063299 0.826033 -1.010424
H -2.619446 -1.844902 -1.714812
H -1.726598 -2.448144 -0.297569
H 4.070644 -2.321646 0.157184
H 2.882391 -2.419310 1.477127
H 2.354792 -3.970947 -0.613634
H 1.081210 -3.253836 -1.628335
H 4.095793 -2.800328 -2.082144
H 2.744719 -2.223008 -3.124560
H -1.611849 2.895003 -3.032652
H -2.519607 -0.379189 1.785309
H -0.849842 1.563264 1.017770
H -4.872849 -2.423304 -1.222145
H 3.975529 -1.029319 3.096366
H 3.272511 0.498533 -0.894207
H -0.567891 5.111596 -2.513766
H -4.553652 -0.209588 3.264568
H 0.215954 3.781661 1.550074
H -6.903029 -2.259789 0.236405
H 4.750406 1.232735 3.841360
H 4.040147 2.784389 -0.156860
H 3.597789 -4.361791 -3.865065
H 0.350833 5.565818 -0.217527
H -6.750922 -1.152110 2.488123
H 4.788145 3.150883 2.215913


