%chk=000218659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218659

0 1
O -2.799803 -1.097738 1.277577
O -0.117293 -2.222886 -0.745732
O 4.020475 -0.582511 0.491157
N -1.133984 0.705814 -0.581182
N 2.341565 0.971441 0.245172
N 1.942101 -1.410331 -0.109625
N 0.319607 2.412389 -0.110508
C -3.341411 -0.164897 0.334715
C -2.361745 -0.037983 -0.878898
C 0.121966 0.121129 -0.340911
C 1.000526 1.203383 -0.048464
C -4.628906 -0.842234 -0.133538
C -3.607030 1.166078 1.034739
C -0.972003 2.077334 -0.437020
C 0.549892 -1.256669 -0.434074
C 2.854203 -0.363242 0.225675
C 3.246631 2.105826 0.551129
C 2.523246 -2.781149 -0.161519
H -2.079683 -1.082356 -1.198852
H -2.882846 0.431089 -1.741927
H -5.260820 -1.092466 0.732329
H -5.214391 -0.213015 -0.808117
H -4.421537 -1.799326 -0.632003
H -4.019696 1.919244 0.358010
H -2.709932 1.579452 1.509389
H -4.336324 1.026308 1.847144
H -1.763600 2.804275 -0.573621
H -1.914948 -0.829980 1.594474
H 4.263462 1.731370 0.777929
H 2.869140 2.669415 1.423092
H 3.301848 2.795000 -0.310515
H 1.715457 -3.534296 -0.095963
H 3.227314 -2.932629 0.676330
H 3.069818 -2.932438 -1.107793


%chk=000218659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218659

0 1
O -2.562705 -0.864572 1.411234
O -0.197599 -2.218214 -0.902822
O 4.041685 -0.694165 0.486743
N -1.114977 0.764701 -0.589656
N 2.346311 0.912981 0.261532
N 1.908662 -1.427065 -0.156479
N 0.400807 2.405747 -0.075193
C -3.303369 -0.121488 0.370396
C -2.394368 0.086849 -0.888321
C 0.114663 0.124149 -0.337473
C 1.013277 1.159119 -0.025697
C -4.458796 -1.056385 -0.025412
C -3.820964 1.212795 0.951766
C -0.883927 2.122161 -0.417442
C 0.520749 -1.252563 -0.501173
C 2.839545 -0.413422 0.219299
C 3.258208 2.024009 0.597881
C 2.466348 -2.798041 -0.229668
H -2.139772 -0.902022 -1.304677
H -2.937536 0.679385 -1.646244
H -5.122477 -1.217007 0.840590
H -5.054118 -0.627803 -0.851587
H -4.058809 -2.035846 -0.337584
H -4.433057 1.766447 0.215361
H -2.991432 1.868934 1.276117
H -4.446588 1.005107 1.836510
H -1.657486 2.871861 -0.562438
H -1.788769 -0.322263 1.714837
H 4.248484 1.591007 0.799967
H 2.887661 2.561069 1.486782
H 3.316138 2.734321 -0.243753
H 1.642064 -3.473642 -0.499913
H 2.899063 -3.078428 0.744010
H 3.264383 -2.844316 -0.988895


