%chk=000202684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202684

1 1
O -2.734836 1.083184 -0.779938
N -2.739312 -2.241509 -0.214336
N -1.551898 2.994671 -0.714903
C -0.622017 0.919277 0.416955
C -1.276128 -0.426379 0.865064
C -0.253844 1.745238 1.700032
C -1.462168 -1.395959 -0.308314
C 0.601636 0.612203 -0.446049
C -1.718950 1.664882 -0.395448
C 0.745405 2.868972 1.425513
C -1.494040 2.279661 2.420048
C -3.964440 -1.356614 -0.222828
C -2.792267 -3.159643 -1.419489
C -2.727549 -3.085359 1.040497
C 1.744984 -0.097445 0.085192
C 0.608542 0.979070 -1.776016
C 2.845881 -0.368271 -0.775092
C 1.717090 0.710978 -2.626862
C 1.847889 -0.557765 1.437775
C 2.815334 0.055227 -2.141021
C 3.993717 -1.068296 -0.279973
C 2.954762 -1.228083 1.893914
C 4.049557 -1.490804 1.022652
H -2.246325 -0.187359 1.353576
H -0.644337 -0.897538 1.647940
H 0.256536 1.026383 2.405645
H -0.579053 -2.070456 -0.388671
H -1.512012 -0.818320 -1.270360
H 1.669034 2.494471 0.960759
H 1.045866 3.359098 2.363282
H 0.351540 3.662133 0.778067
H -1.969679 3.117758 1.897235
H -1.225362 2.663729 3.415497
H -2.259594 1.513067 2.573389
H -4.900197 -1.935422 -0.207801
H -3.965745 -0.651635 0.633477
H -3.972785 -0.684580 -1.114271
H -2.815801 -2.582964 -2.365085
H -1.916345 -3.832337 -1.463762
H -3.696682 -3.796334 -1.410340
H -3.609659 -3.750710 1.095173
H -1.827115 -3.724951 1.093052
H -2.739717 -2.460586 1.952696
H -0.230509 1.495348 -2.245474
H -2.280637 3.489215 -1.214815
H -0.759466 3.543132 -0.391477
H 1.671958 1.043248 -3.665267
H 1.028722 -0.348681 2.134339
H 3.677169 -0.151620 -2.778025
H 4.825515 -1.253473 -0.962486
H 3.019007 -1.562584 2.930208
H 4.921425 -2.020268 1.409125


%chk=000202684-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202684

1 1
O -2.858792 1.373007 -0.641080
N -2.771700 -2.276110 -0.224531
N -1.293813 3.037714 -0.889060
C -0.631708 0.978153 0.403686
C -1.357470 -0.357383 0.812312
C -0.360446 1.817187 1.745670
C -1.592726 -1.279802 -0.397473
C 0.639407 0.619289 -0.436255
C -1.674712 1.800019 -0.433402
C 0.727627 2.911119 1.626185
C -1.653701 2.417709 2.358973
C -4.080400 -1.530300 0.069748
C -2.929434 -3.032521 -1.542601
C -2.473780 -3.268734 0.892255
C 1.789021 -0.090395 0.120632
C 0.640459 0.881831 -1.818899
C 2.894530 -0.440386 -0.764671
C 1.725009 0.532384 -2.678030
C 1.925495 -0.492104 1.497025
C 2.841925 -0.110332 -2.157429
C 4.044480 -1.127719 -0.250855
C 3.053864 -1.168193 1.968432
C 4.132855 -1.489565 1.091832
H -2.318311 -0.075030 1.270530
H -0.745351 -0.875744 1.569094
H 0.010852 1.084692 2.484840
H -0.703576 -1.896024 -0.616956
H -1.850331 -0.686494 -1.287416
H 1.629845 2.554269 1.101596
H 1.036320 3.228904 2.638226
H 0.353812 3.821198 1.121237
H -2.078947 3.215552 1.725493
H -1.413754 2.867122 3.339280
H -2.442869 1.663485 2.530910
H -4.922881 -2.190477 -0.187416
H -4.125856 -1.279075 1.138724
H -4.096699 -0.599525 -0.517658
H -3.241240 -2.322184 -2.323034
H -1.965678 -3.488365 -1.816571
H -3.694356 -3.815139 -1.422538
H -3.334792 -3.944517 1.012719
H -1.574396 -3.847337 0.630335
H -2.302626 -2.716740 1.827281
H -0.212786 1.385612 -2.280537
H -1.983337 3.604870 -1.385464
H -0.348015 3.396528 -0.766837
H 1.667385 0.780532 -3.742646
H 1.144367 -0.257506 2.220195
H 3.688897 -0.377012 -2.799420
H 4.860368 -1.364476 -0.943405
H 3.114905 -1.446148 3.026189
H 5.016158 -2.010837 1.473784


