%chk=000251453.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251453

0 1
O -0.254898 2.733988 -0.811886
O -0.743716 2.028993 1.170386
N 1.046933 -2.711143 0.448331
N -2.498853 -0.012867 -0.392544
N -0.141457 1.947817 0.111573
C -0.653756 -1.196938 0.656705
C 0.533242 -0.482725 0.251317
C -2.000895 -0.605361 0.895423
C 1.586182 -1.460555 0.116292
C -0.314721 -2.538880 0.767928
C 0.857360 0.856778 -0.039502
C 2.889459 -1.118535 -0.294610
C 2.133899 1.197544 -0.467890
C 3.142227 0.210306 -0.586354
C -3.544855 1.016711 -0.123427
C -3.018196 -1.072401 -1.304936
H -2.693614 -1.354280 1.335458
H -1.902870 0.215922 1.653211
H -0.934692 -3.372356 1.049580
H 1.541872 -3.580870 0.450890
H 3.662822 -1.876962 -0.381513
H 2.372139 2.233198 -0.721856
H 4.134562 0.518558 -0.917340
H -3.097623 1.822285 0.489406
H -4.446172 0.647793 0.383851
H -3.844904 1.477152 -1.078737
H -3.275926 -0.608738 -2.271256
H -3.900109 -1.613821 -0.934904
H -2.214741 -1.801213 -1.500095


%chk=000251453-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251453

0 1
O -0.105468 2.912542 -0.753957
O -0.756492 2.000726 1.233250
N 1.042498 -2.699614 0.561876
N -2.551753 0.011463 -0.322517
N -0.078966 1.970134 0.129752
C -0.671269 -1.189076 0.737426
C 0.520315 -0.489642 0.291249
C -2.054086 -0.622001 0.925153
C 1.574642 -1.469339 0.162687
C -0.305066 -2.527639 0.892804
C 0.848321 0.842944 -0.083526
C 2.865021 -1.164397 -0.316742
C 2.117259 1.162488 -0.605835
C 3.120059 0.164617 -0.713733
C -3.639811 0.976197 -0.076697
C -2.861309 -0.958383 -1.387283
H -2.741649 -1.429261 1.288315
H -2.026825 0.166377 1.698203
H -0.921687 -3.367911 1.207136
H 1.547216 -3.582896 0.572066
H 3.644028 -1.930901 -0.390829
H 2.320763 2.194984 -0.902494
H 4.107244 0.437819 -1.099204
H -3.281165 1.757861 0.615950
H -4.561440 0.510211 0.356079
H -3.919675 1.463710 -1.027420
H -3.113944 -0.418059 -2.316899
H -3.719715 -1.633265 -1.133462
H -1.978346 -1.590289 -1.587845


