%chk=000295531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295531

0 1
O -3.217540 -4.259113 0.550942
O 3.218921 -4.258086 -0.550947
O -5.500399 -4.168582 -0.092546
O 5.501749 -4.166833 0.092550
N -1.416728 3.255331 -0.122790
N 1.415718 3.255781 0.122840
C -3.469558 -0.575021 0.181368
C 3.469765 -0.573917 -0.181346
C -0.732039 2.114152 -0.069037
C 0.731393 2.114384 0.069080
C -3.596333 -2.940177 0.337352
C 3.597294 -2.939031 -0.337347
C -4.969464 -2.885813 -0.048969
C 4.970406 -2.884233 0.048980
C -2.822148 -1.810662 0.459679
C 2.822750 -1.809762 -0.459668
C -0.712299 4.452545 -0.056394
C 0.710908 4.452771 0.056452
C -2.714974 0.683904 0.292992
C 2.714780 0.684768 -0.292964
C -1.469282 0.844954 -0.177791
C 1.469040 0.845421 0.177827
C -4.817777 -0.527201 -0.188745
C 4.817967 -0.525670 0.188772
C -5.604068 -1.694286 -0.318364
C 5.604629 -1.692505 0.318386
C -4.408577 -5.071166 0.283566
C 4.410216 -5.069762 -0.283572
C -1.417444 5.695709 -0.110197
C 1.415658 5.696159 0.110263
C -0.712664 6.872397 -0.055041
C 0.710503 6.872623 0.055113
H -1.780005 -1.852818 0.761477
H 1.780621 -1.852247 -0.761469
H -3.248296 1.509119 0.782345
H 3.247837 1.510154 -0.782318
H -0.935829 0.042173 -0.693682
H 0.935846 0.042469 0.693720
H -5.286656 0.436046 -0.395108
H 5.286538 0.437725 0.395143
H -6.648607 -1.646579 -0.612906
H 6.649152 -1.644468 0.612932
H -4.691809 -5.571576 1.218812
H -4.190612 -5.714742 -0.578800
H 4.693612 -5.570074 -1.218821
H 4.192453 -5.713413 0.578788
H -2.504894 5.672741 -0.195919
H 2.503114 5.673537 0.195984
H -1.230623 7.830993 -0.095006
H 1.228156 7.831384 0.095085


%chk=000295531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000295531

0 1
O -3.924819 -4.301745 0.018278
O 3.926226 -4.300504 -0.018418
O -6.293690 -3.899389 0.056548
O 6.294972 -3.897376 -0.056269
N -1.429279 3.075690 0.018126
N 1.428319 3.076133 -0.018304
C -3.766310 -0.529652 0.038881
C 3.766489 -0.528463 -0.038903
C -0.737002 1.905431 0.008055
C 0.736405 1.905658 -0.008415
C -4.189612 -2.908892 0.026385
C 4.190568 -2.907565 -0.026427
C -5.585522 -2.676892 0.049063
C 5.586406 -2.675109 -0.048860
C -3.261742 -1.874922 0.021371
C 3.262357 -1.873899 -0.021530
C -0.726013 4.262100 0.010148
C 0.724686 4.262325 -0.010183
C -2.891742 0.645091 0.034141
C 2.891542 0.645997 -0.034255
C -1.519035 0.661826 0.012756
C 1.518827 0.662297 -0.013034
C -5.177273 -0.316440 0.061802
C 5.177386 -0.314792 -0.061584
C -6.111219 -1.382974 0.067925
C 6.111683 -1.381019 -0.067588
C -5.254022 -4.965559 -0.000292
C 5.255642 -4.963887 0.000341
C -1.429586 5.507055 0.020581
C 1.427871 5.507501 -0.020484
C -0.718179 6.710260 0.010534
C 0.716088 6.710483 -0.010302
H -2.190435 -2.088290 0.004770
H 2.191117 -2.087618 -0.005121
H -3.385517 1.626078 0.048969
H 3.385006 1.627142 -0.049018
H -0.966323 -0.281883 -0.003180
H 0.966410 -0.281587 0.002847
H -5.549946 0.713617 0.074612
H 5.549727 0.715387 -0.074295
H -7.188951 -1.205101 0.086424
H 7.189359 -1.202792 -0.085901
H -5.350638 -5.605463 0.892721
H -5.366824 -5.523341 -0.946214
H 5.352617 -5.603713 -0.892688
H 5.368466 -5.521681 0.946254
H -2.523654 5.479630 0.036004
H 2.521948 5.480421 -0.035909
H -1.255855 7.664769 0.018385
H 1.253468 7.665159 -0.018045


