%chk=000213152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000213152

0 1
O 0.520492 0.382503 2.668118
N 0.251554 -1.499526 -0.354501
N -0.845413 1.031181 0.968493
C 0.687094 -0.371006 -1.253090
C -0.840745 -2.301509 -1.002269
C 1.404164 -2.387200 0.018996
C -1.360724 -3.342846 0.002537
C 0.923236 -3.434670 1.037134
C -0.233795 -4.268581 0.474209
C -0.457820 0.603081 -1.476277
C 1.810073 0.427614 -0.612828
C -1.133815 1.255973 -0.419707
C 1.645957 0.981205 0.664771
C 0.430517 0.719949 1.497158
C -0.821476 0.891144 -2.801010
C 3.001957 0.652336 -1.317010
C -2.021211 0.805550 1.871855
C -2.157571 2.182720 -0.724379
C 2.670617 1.750758 1.236194
C -1.836271 1.801375 -3.091793
C 4.014897 1.428846 -0.749504
C -2.821772 -0.441890 1.472967
C -2.502551 2.449506 -2.045575
C 3.850415 1.980467 0.526032
C -3.945068 -0.711892 2.467390
H 1.035834 -0.765970 -2.247907
H -0.508253 -2.803062 -1.935796
H -1.665564 -1.608691 -1.279350
H 2.192675 -1.759816 0.491405
H 1.863410 -2.886652 -0.859624
H -2.182274 -3.924355 -0.450284
H -1.793974 -2.804894 0.880730
H 0.594520 -2.914876 1.962201
H 1.767451 -4.084627 1.328363
H -0.610544 -4.965621 1.245417
H 0.120093 -4.897973 -0.363542
H -0.302011 0.392487 -3.619924
H 3.139673 0.226542 -2.308974
H -1.640825 0.697290 2.918516
H -2.660850 1.713596 1.853259
H -2.675021 2.699881 0.084002
H 2.540400 2.158635 2.241329
H -2.106491 2.009251 -4.124334
H 4.937446 1.604483 -1.302073
H -3.232890 -0.322888 0.451877
H -2.135584 -1.323930 1.418230
H -3.291303 3.168483 -2.264968
H 4.642236 2.583555 0.966825
H -3.555675 -0.889002 3.477778
H -4.648152 0.126440 2.527560
H -4.519468 -1.600369 2.180875


%chk=000213152-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000213152

0 1
O 0.501313 0.544559 2.787588
N 0.334572 -1.584754 -0.383893
N -0.910175 0.947763 0.975105
C 0.696430 -0.403993 -1.225869
C -0.776622 -2.372106 -0.984707
C 1.517099 -2.448692 -0.113418
C -1.200303 -3.536634 -0.066950
C 1.155185 -3.604832 0.838597
C -0.000069 -4.451539 0.260599
C -0.481095 0.540201 -1.475232
C 1.804165 0.423658 -0.585201
C -1.187653 1.187748 -0.413363
C 1.603269 0.979582 0.705344
C 0.369882 0.762858 1.539360
C -0.834175 0.836033 -2.813481
C 3.023256 0.658707 -1.262008
C -2.059885 0.894205 1.926920
C -2.244394 2.080988 -0.746730
C 2.645609 1.726049 1.313036
C -1.876543 1.728792 -3.135259
C 4.043688 1.432264 -0.668476
C -3.059916 -0.242139 1.625798
C -2.586675 2.351999 -2.085353
C 3.854684 1.964851 0.628710
C -4.232595 -0.226756 2.629185
H 1.062527 -0.749106 -2.228435
H -0.469652 -2.786936 -1.983329
H -1.632083 -1.697248 -1.161705
H 2.311735 -1.829824 0.336545
H 1.923733 -2.871360 -1.072054
H -2.010310 -4.109187 -0.558830
H -1.609507 -3.119671 0.873633
H 0.854337 -3.176788 1.814026
H 2.053362 -4.228898 1.008888
H -0.298360 -5.244684 0.971918
H 0.341648 -4.957915 -0.666397
H -0.278402 0.338048 -3.617222
H 3.173412 0.221559 -2.256408
H -1.612514 0.748292 2.923650
H -2.582098 1.870534 1.940909
H -2.793441 2.587438 0.051878
H 2.489761 2.103175 2.328610
H -2.131266 1.931181 -4.180632
H 4.982983 1.606591 -1.204923
H -3.450701 -0.144612 0.594524
H -2.524267 -1.208155 1.679326
H -3.398485 3.054448 -2.303766
H 4.645445 2.555226 1.104014
H -3.871905 -0.343832 3.668061
H -4.795641 0.724507 2.573517
H -4.941760 -1.048593 2.423401


