%chk=000288908.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288908

0 1
O 0.571964 -1.371488 1.247068
O -5.184499 -2.930336 0.419592
O -5.256165 -2.440666 -1.685473
N -0.656476 2.546037 -0.145304
N -4.774950 -2.342241 -0.567512
C 0.225483 3.754769 0.021615
C -0.642283 4.979528 -0.328336
C 0.699506 3.850693 1.479080
C 1.416765 3.670558 -0.944195
C -0.300811 1.225362 0.083143
C -1.457019 0.283846 -0.082043
C 0.959459 0.795474 0.372587
C -1.925861 -0.451209 1.014939
C -2.060577 0.146209 -1.343792
C 1.329227 -0.571369 0.719847
C -3.010970 -1.317852 0.860239
C -3.142704 -0.716230 -1.507753
C -3.616225 -1.434440 -0.398243
C 2.755533 -0.961160 0.447036
C 3.428410 -0.504906 -0.694015
C 3.402048 -1.824163 1.343162
C 4.747939 -0.900567 -0.929857
C 4.724541 -2.211142 1.109509
C 5.397345 -1.748936 -0.026196
H -1.629225 2.738997 -0.382110
H -1.510567 5.079377 0.332776
H -0.061434 5.904650 -0.222370
H -1.003483 4.952328 -1.362515
H 1.289673 2.974955 1.781193
H -0.141843 3.917648 2.178308
H 1.328493 4.733430 1.635336
H 1.092493 3.531894 -1.981502
H 2.023165 4.581699 -0.906207
H 2.080903 2.827541 -0.699505
H 1.789521 1.506740 0.375348
H -1.410217 -0.382488 1.979765
H -1.672021 0.697769 -2.200765
H -3.382078 -1.908219 1.705599
H -3.622420 -0.842702 -2.484028
H 2.919869 0.148754 -1.402353
H 2.859875 -2.196118 2.215429
H 5.269884 -0.551013 -1.818297
H 5.227064 -2.877612 1.808217
H 6.426665 -2.053399 -0.210116


%chk=000288908-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000288908

0 1
O 0.677023 -1.598933 -0.421764
O -5.171515 -2.876708 1.155252
O -5.766129 -2.146602 -0.923090
N -0.639426 2.497285 -0.212027
N -4.965014 -2.172254 0.091581
C 0.177090 3.747375 -0.342629
C -0.847281 4.887651 -0.577951
C 0.960722 4.039023 0.967192
C 1.124606 3.661391 -1.568604
C -0.243270 1.176687 -0.083586
C -1.421746 0.239460 -0.070478
C 1.072269 0.738773 0.048743
C -1.692172 -0.560969 1.071068
C -2.341597 0.242883 -1.151998
C 1.475989 -0.664200 -0.052832
C -2.848924 -1.354283 1.131648
C -3.500386 -0.556401 -1.113596
C -3.740785 -1.340441 0.034218
C 2.914928 -1.014231 0.261817
C 3.796034 -0.154759 0.972333
C 3.388817 -2.288194 -0.151133
C 5.119739 -0.557554 1.254815
C 4.711515 -2.688913 0.123859
C 5.583761 -1.823150 0.826956
H -1.650737 2.650185 -0.172029
H -1.549438 4.976441 0.272805
H -0.321897 5.851762 -0.681913
H -1.428390 4.715067 -1.502727
H 1.680776 3.240843 1.210545
H 0.264933 4.139487 1.819248
H 1.523289 4.984255 0.864005
H 0.543130 3.493737 -2.492466
H 1.678580 4.611327 -1.673772
H 1.860130 2.846149 -1.479981
H 1.867484 1.477218 0.154728
H -0.981523 -0.563107 1.902834
H -2.125929 0.841887 -2.043006
H -3.073182 -1.980848 1.998418
H -4.210732 -0.586192 -1.943723
H 3.449417 0.819064 1.335420
H 2.690453 -2.944557 -0.680838
H 5.786494 0.110390 1.811773
H 5.064806 -3.672295 -0.205780
H 6.612084 -2.133746 1.043970


