%chk=000121363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000121363

0 1
O 0.477656 1.628406 -0.235212
O 2.072580 -1.201364 0.436370
O 2.630997 2.207287 0.314857
O 2.993965 -0.402664 -1.509489
N 1.685156 2.816594 -1.731941
N 4.290181 -0.758796 0.401553
C -1.604096 -0.353524 0.019104
C -0.224806 -0.479135 0.740523
C -2.163013 -1.717374 -0.434619
C -2.649553 0.361085 0.901178
C -3.489340 -1.545481 -1.189849
C -3.971498 0.548035 0.143872
C -4.526919 -0.797162 -0.342591
C 0.334804 0.931766 1.044323
C 0.752785 -1.227431 -0.197621
C -0.320656 -1.231678 2.074463
C 1.714540 2.200709 -0.484264
C 3.113976 -0.722390 -0.342729
H -1.434765 0.279887 -0.890642
H -2.316801 -2.372128 0.444622
H -1.441525 -2.241291 -1.087649
H -2.264903 1.347739 1.224051
H -2.831002 -0.221138 1.824083
H -3.884270 -2.536778 -1.480877
H -3.313283 -0.996850 -2.135280
H -3.818375 1.225403 -0.718370
H -4.710238 1.048252 0.797353
H -5.449848 -0.636104 -0.929777
H -4.819891 -1.417721 0.525764
H -0.373153 1.558162 1.614316
H 1.311105 0.885099 1.564259
H 0.524056 -2.303107 -0.282284
H 0.805480 -0.762522 -1.201038
H -0.872038 -0.666329 2.832607
H -0.832683 -2.193823 1.953480
H 0.679373 -1.446938 2.476140
H 0.939890 2.578512 -2.373629
H 2.579113 3.010315 -2.169084
H 4.223090 -0.853843 1.406903
H 5.050009 -0.167780 0.082125


%chk=000121363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000121363

0 1
O 0.502563 1.664448 -0.249471
O 2.122116 -1.219326 0.472078
O 2.676767 2.372090 0.363717
O 2.997132 -0.531541 -1.618050
N 1.713728 2.915880 -1.705642
N 4.349781 -0.825685 0.276593
C -1.618986 -0.373665 0.054308
C -0.228020 -0.467584 0.797538
C -2.171190 -1.743219 -0.437184
C -2.711488 0.344465 0.895450
C -3.493178 -1.576798 -1.228139
C -4.024574 0.526364 0.096415
C -4.567516 -0.830672 -0.405488
C 0.357307 0.945938 1.040702
C 0.752898 -1.267760 -0.100746
C -0.332314 -1.150917 2.188393
C 1.732416 2.323791 -0.464184
C 3.155780 -0.821400 -0.405490
H -1.440330 0.250531 -0.848182
H -2.351683 -2.408230 0.433119
H -1.436155 -2.254372 -1.086679
H -2.353814 1.334780 1.234861
H -2.930715 -0.250904 1.805520
H -3.869007 -2.570339 -1.541844
H -3.286982 -1.005179 -2.157098
H -3.833834 1.188423 -0.773656
H -4.780918 1.034448 0.726114
H -5.480819 -0.680330 -1.013537
H -4.860368 -1.452271 0.466268
H -0.315141 1.551222 1.672531
H 1.348375 0.884715 1.521855
H 0.478659 -2.335380 -0.128939
H 0.787839 -0.860984 -1.127111
H -0.892591 -0.529553 2.909962
H -0.844732 -2.126893 2.114899
H 0.676192 -1.330199 2.601440
H 0.937860 2.745738 -2.340618
H 2.561511 3.366288 -2.037516
H 4.363604 -0.989574 1.280192
H 5.175925 -0.472443 -0.197376


