%chk=000201025.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201025

0 1
O 0.266233 -0.997325 -1.422715
N -1.190501 0.138261 -0.120270
C 1.238461 0.006200 0.556946
C 1.502298 -1.216656 1.458771
C 2.479449 0.426995 -0.250460
C 0.099527 -0.326740 -0.411589
C 2.009679 -2.451674 0.701937
C 2.341377 1.846755 -0.817022
C -1.532717 0.994872 1.038799
C -2.303047 -0.201281 -1.050535
C -1.392146 2.489426 0.692062
C -3.111853 -1.402373 -0.529765
C 2.070026 -3.679744 1.606249
C 3.579371 2.252867 -1.613271
C -1.712653 3.365665 1.897631
C -4.275670 -1.721721 -1.462369
H 0.954982 0.858706 1.224345
H 2.236677 -0.933997 2.238219
H 0.570577 -1.473470 2.001253
H 3.378860 0.359820 0.389730
H 2.640853 -0.293252 -1.081934
H 1.353910 -2.653701 -0.173817
H 3.010539 -2.249830 0.274084
H 2.171401 2.570761 0.002909
H 1.446469 1.901803 -1.469703
H -0.883437 0.737009 1.905250
H -2.575206 0.774170 1.361412
H -1.868305 -0.446132 -2.051453
H -2.954940 0.686375 -1.186575
H -2.061391 2.744471 -0.153277
H -0.367203 2.700305 0.327209
H -3.485843 -1.203415 0.492056
H -2.443407 -2.283529 -0.441026
H 1.079678 -3.948336 1.990632
H 2.727558 -3.519601 2.467412
H 2.452039 -4.549564 1.058960
H 4.483425 2.237065 -0.994622
H 3.750185 1.576932 -2.460232
H 3.475010 3.264871 -2.019714
H -1.618196 4.429408 1.646660
H -1.035709 3.170119 2.737250
H -2.736763 3.208109 2.255906
H -4.844748 -2.585821 -1.099952
H -3.926160 -1.966136 -2.473298
H -4.973786 -0.881867 -1.548584


%chk=000201025-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201025

0 1
O 0.266537 -0.777379 -1.613492
N -1.193191 0.221658 -0.113296
C 1.269304 0.129591 0.439883
C 1.458156 -1.058344 1.440793
C 2.552151 0.422627 -0.377323
C 0.086539 -0.163791 -0.508682
C 1.864986 -2.406462 0.801055
C 2.501060 1.771069 -1.130146
C -1.515897 0.942704 1.137815
C -2.327357 -0.093646 -1.016226
C -1.515514 2.483877 0.981240
C -2.982260 -1.458953 -0.701591
C 1.923867 -3.544219 1.842883
C 3.798003 2.060706 -1.915792
C -1.920942 3.198068 2.288058
C -4.183844 -1.744043 -1.627607
H 1.045147 1.032728 1.042124
H 2.231929 -0.760494 2.178764
H 0.519563 -1.209697 2.015296
H 3.420712 0.417150 0.313919
H 2.702933 -0.390636 -1.110549
H 1.151983 -2.665091 -0.003904
H 2.853359 -2.302538 0.313952
H 2.314157 2.593720 -0.407580
H 1.642934 1.757559 -1.830440
H -0.815583 0.647588 1.938647
H -2.520064 0.611893 1.469127
H -1.941655 -0.105861 -2.050483
H -3.077152 0.717332 -0.930955
H -2.208560 2.765454 0.164565
H -0.507359 2.814281 0.663335
H -3.310525 -1.480041 0.357376
H -2.215227 -2.246553 -0.819989
H 0.936164 -3.700662 2.317554
H 2.649140 -3.315868 2.647596
H 2.228094 -4.499500 1.377079
H 4.673285 2.101252 -1.239640
H 3.987670 1.268011 -2.663430
H 3.740353 3.025331 -2.453094
H -1.913416 4.295289 2.161055
H -1.225594 2.950598 3.112376
H -2.938578 2.903676 2.607729
H -4.639281 -2.724640 -1.400277
H -3.871252 -1.756159 -2.688372
H -4.969868 -0.972785 -1.515854


