%chk=000191637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191637

0 1
O 3.060586 -0.739771 2.067810
O 3.288629 -1.769378 0.020801
N -1.267352 -0.816573 -0.292618
N 4.446357 1.067970 -0.230988
C -2.206528 -1.984833 -0.164171
C -1.552575 0.532083 0.013059
C 0.652034 0.383654 -0.741332
C -0.360884 1.301620 -0.260249
C 0.065301 -0.880321 -0.743130
C -1.493116 -3.285931 -0.605156
C -3.434195 -1.763114 -1.090429
C -2.634973 -2.139497 1.321401
C 2.075028 0.716874 -1.113801
C -2.726149 1.162611 0.498288
C 3.064413 0.686987 0.096385
C -0.361769 2.705256 -0.045261
C -2.698696 2.556298 0.705049
C -1.529197 3.325477 0.435705
C 3.136498 -0.730110 0.676521
H 0.522240 -1.821105 -1.036582
H -2.200204 -4.126923 -0.499639
H -1.176963 -3.242126 -1.662530
H -0.611194 -3.505507 0.022415
H -3.107818 -1.680581 -2.142355
H -4.128430 -2.618765 -1.006150
H -3.989289 -0.845665 -0.836816
H -3.328407 -2.993359 1.426206
H -1.750547 -2.327099 1.955781
H -3.139668 -1.238381 1.705042
H 2.135254 1.730210 -1.555842
H 2.455684 0.004623 -1.870707
H -3.642648 0.607341 0.715166
H 2.700717 1.356250 0.893829
H 0.536545 3.298397 -0.254564
H -3.598039 3.057446 1.080630
H -1.546065 4.407688 0.606510
H 4.679689 2.056460 -0.146523
H 4.857113 0.593372 -1.037063
H 3.178617 -1.673875 2.395605


%chk=000191637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191637

0 1
O 3.013489 -0.677016 2.092395
O 3.304603 -1.765115 0.064790
N -1.267198 -0.822681 -0.299613
N 4.444492 1.075225 -0.245202
C -2.209462 -1.988544 -0.172007
C -1.545798 0.525128 0.015872
C 0.654034 0.373551 -0.751533
C -0.352773 1.292069 -0.258849
C 0.062590 -0.888049 -0.758368
C -1.502071 -3.289972 -0.621778
C -3.440687 -1.759075 -1.091480
C -2.631327 -2.148664 1.314907
C 2.076890 0.702567 -1.127398
C -2.714796 1.156938 0.510361
C 3.061789 0.703484 0.087280
C -0.347537 2.694364 -0.035621
C -2.681232 2.549232 0.725377
C -1.510311 3.315826 0.454921
C 3.127268 -0.700098 0.701245
H 0.514871 -1.828808 -1.059014
H -2.211567 -4.129100 -0.517493
H -1.189987 -3.242379 -1.680209
H -0.618451 -3.515480 0.001335
H -3.119959 -1.681297 -2.145511
H -4.141215 -2.608974 -1.001308
H -3.986666 -0.836569 -0.836486
H -3.322135 -3.004612 1.420012
H -1.743737 -2.335963 1.944937
H -3.136766 -1.250141 1.703553
H 2.137176 1.704612 -1.594496
H 2.462093 -0.028079 -1.864315
H -3.632337 0.603729 0.728114
H 2.695532 1.393027 0.865973
H 0.551638 3.285633 -0.246430
H -3.576923 3.051339 1.108333
H -1.522487 4.397042 0.632260
H 4.685850 2.062065 -0.168539
H 4.858375 0.585337 -1.040122
H 3.124732 -1.602849 2.444407


