%chk=000184849.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184849

0 1
O 2.320477 4.430975 0.962049
O 1.807656 2.882017 2.498815
O 3.537199 0.889298 -1.397382
O -2.898803 -0.497127 -2.659906
N 2.106783 0.956131 0.375498
N -2.576802 1.222544 -1.194199
C 0.167646 2.413844 -0.266842
C 1.667262 2.329040 0.079088
C -0.140884 1.680888 -1.575618
C -1.583048 1.903723 -2.055298
C 1.923518 3.172897 1.333390
C 3.064305 0.318100 -0.432183
C -3.138095 0.000184 -1.572809
C 3.402076 -1.073313 -0.001377
C -4.075753 -0.592396 -0.563062
C 3.288809 -2.109850 -0.937873
C 3.858696 -1.334304 1.297289
C -5.397234 -0.855432 -0.946132
C -3.632815 -0.913787 0.726159
C 3.618498 -3.415849 -0.564844
C 4.191759 -2.641825 1.661130
C 4.068358 -3.681564 0.732747
C -6.282507 -1.426784 -0.027343
C -4.521576 -1.489366 1.638509
C -5.845814 -1.741942 1.263534
H -0.442138 1.995608 0.557769
H -0.120390 3.482593 -0.353424
H 2.285845 2.738899 -0.779599
H 0.052072 0.594000 -1.460394
H 0.556967 2.013512 -2.373048
H -1.828005 2.987708 -2.093483
H -1.686728 1.510233 -3.099239
H 1.658540 0.485887 1.158375
H -2.740618 1.619457 -0.277398
H 2.508566 5.026915 1.737686
H 2.952687 -1.893497 -1.953845
H 3.965885 -0.522964 2.017945
H -5.726327 -0.622837 -1.960465
H -2.598815 -0.730411 1.014484
H 3.528956 -4.225462 -1.288575
H 4.550705 -2.850137 2.668263
H 4.327309 -4.700489 1.020308
H -7.311416 -1.631353 -0.320666
H -4.181559 -1.744488 2.641069
H -6.536844 -2.189375 1.977299


%chk=000184849-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184849

0 1
O 1.687631 4.278914 1.442348
O 1.971118 2.342434 2.693385
O 3.216379 0.776270 -1.636876
O -2.480869 -0.831420 -2.128584
N 2.100340 0.800623 0.399533
N -2.560565 1.325775 -1.273335
C 0.172913 2.315131 -0.254011
C 1.650534 2.184181 0.242369
C -0.064253 1.583997 -1.590694
C -1.484947 1.814299 -2.157796
C 1.804099 2.896225 1.582899
C 2.922750 0.196165 -0.541757
C -2.979815 0.003868 -1.307954
C 3.428453 -1.181791 -0.205376
C -4.070229 -0.386237 -0.338998
C 3.865808 -1.995623 -1.281281
C 3.510735 -1.679929 1.121841
C -4.805807 -1.563697 -0.628320
C -4.367666 0.341530 0.843593
C 4.354970 -3.295601 -1.039631
C 4.006918 -2.979638 1.363000
C 4.423233 -3.792981 0.283464
C -5.836798 -1.993144 0.232399
C -5.397080 -0.091370 1.708514
C -6.138762 -1.255736 1.401968
H -0.508643 1.909070 0.520320
H -0.047325 3.395587 -0.359943
H 2.309502 2.656718 -0.509918
H 0.093849 0.498249 -1.464835
H 0.674556 1.924418 -2.341206
H -1.657531 2.891591 -2.342782
H -1.574825 1.276362 -3.118441
H 1.877505 0.333884 1.280742
H -3.052768 1.992099 -0.678819
H 1.767481 4.714214 2.334332
H 3.815266 -1.583197 -2.294117
H 3.230109 -1.054792 1.978604
H -4.541610 -2.125453 -1.530263
H -3.780822 1.225450 1.123771
H 4.682316 -3.920103 -1.877898
H 4.076345 -3.353819 2.390204
H 4.804670 -4.802506 0.472944
H -6.402394 -2.901034 -0.004057
H -5.613135 0.471194 2.623507
H -6.937233 -1.590276 2.073552


