%chk=000268780.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268780

0 1
O 0.116669 -0.053071 2.023646
O -1.724950 1.603363 1.336884
O 0.096940 -2.224637 2.685619
N 1.688879 -1.175310 -0.005953
C 0.510944 -0.315283 -0.385668
C 2.915449 -0.848384 -0.808089
C 1.330281 -2.629826 -0.149142
C 4.098891 -1.710630 -0.338102
C 2.493544 -3.511980 0.330245
C 3.779185 -3.205608 -0.444812
C -0.527934 -0.401847 0.771697
C 0.915156 1.118060 -0.671948
C -1.676925 0.614384 0.647072
C 1.361647 1.964037 0.353493
C 0.838198 1.602068 -1.986967
C -2.775086 0.268765 -0.311293
C 1.726416 3.281547 0.066376
C 1.204779 2.920787 -2.269766
C 1.649980 3.761772 -1.244983
C 0.471665 -1.089540 2.868627
C -2.582569 -0.538985 -1.439561
C -4.048189 0.802353 -0.050427
C 1.294190 -0.528514 3.973206
C -3.652576 -0.821137 -2.291847
C -5.119108 0.514560 -0.900132
C -4.922180 -0.298630 -2.020505
H -0.015777 -0.725203 -1.302700
H 3.165940 0.223341 -0.639735
H 2.757091 -0.979587 -1.899417
H 1.052614 -2.901120 -1.189144
H 0.445175 -2.829526 0.502867
H 4.994903 -1.461003 -0.934968
H 4.341912 -1.456904 0.713206
H 2.655987 -3.341686 1.414360
H 2.216808 -4.576745 0.224171
H 3.666904 -3.498780 -1.505390
H 4.618091 -3.805925 -0.047317
H -0.934538 -1.442750 0.855552
H 1.404211 1.584012 1.379577
H 0.492022 0.958005 -2.792271
H 2.063623 3.936558 0.867931
H 1.140139 3.294038 -3.289969
H 1.931494 4.789204 -1.466632
H -1.590794 -0.943117 -1.668468
H -4.189474 1.449265 0.820372
H 1.119467 -1.071571 4.913726
H 2.366398 -0.613770 3.727978
H 1.087354 0.541018 4.143835
H -3.498856 -1.448289 -3.168476
H -6.105076 0.927330 -0.690545
H -5.756613 -0.523614 -2.684314


%chk=000268780-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268780

0 1
O 0.374941 -0.257094 2.103014
O -1.802537 1.250788 1.603755
O -1.144722 -1.594039 3.261956
N 1.867082 -1.164993 -0.222366
C 0.634185 -0.331952 -0.339281
C 2.679279 -1.066550 -1.469264
C 1.628167 -2.584482 0.147299
C 4.036666 -1.780393 -1.322142
C 2.958126 -3.345873 0.330783
C 3.836279 -3.260986 -0.935085
C -0.342969 -0.561996 0.856631
C 0.984200 1.152853 -0.493160
C -1.612229 0.326011 0.769765
C 1.922136 1.765160 0.374971
C 0.353517 1.934686 -1.490726
C -2.604947 0.047968 -0.321225
C 2.218390 3.138832 0.247287
C 0.646921 3.312049 -1.617955
C 1.580125 3.918414 -0.747297
C -0.189147 -0.785893 3.275155
C -2.637163 -1.169106 -1.055560
C -3.574565 1.049563 -0.600272
C 0.517493 -0.237672 4.489941
C -3.618797 -1.375753 -2.048583
C -4.546406 0.846833 -1.598683
C -4.571229 -0.367998 -2.326548
H 0.044750 -0.633636 -1.245002
H 2.836822 0.000908 -1.698674
H 2.122445 -1.514774 -2.336318
H 1.009725 -3.108691 -0.632278
H 1.073311 -2.626220 1.099562
H 4.595795 -1.693346 -2.273492
H 4.626818 -1.267419 -0.538345
H 3.501043 -2.898359 1.185798
H 2.736495 -4.399304 0.588822
H 3.337980 -3.797316 -1.769416
H 4.810034 -3.758300 -0.766513
H -0.673870 -1.617126 0.892676
H 2.409981 1.147507 1.134365
H -0.366085 1.465915 -2.174152
H 2.943582 3.605332 0.924044
H 0.153145 3.906284 -2.395219
H 1.810678 4.985589 -0.843790
H -1.923907 -1.971786 -0.839681
H -3.542139 1.974985 -0.015808
H 0.299465 -0.864464 5.366926
H 1.604064 -0.175998 4.316940
H 0.150993 0.787574 4.679116
H -3.645695 -2.321603 -2.600336
H -5.285400 1.627272 -1.809884
H -5.330524 -0.529908 -3.099854


