%chk=000290374.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290374

0 1
O 3.561834 -3.612458 -0.124822
O -3.561935 3.613298 -0.115313
N 1.113571 -0.929339 -0.955336
N -1.113678 0.932389 -0.952890
N 5.066927 -1.261700 0.629564
N -5.067023 1.260544 0.632850
C 0.274404 -0.717382 -2.181395
C 0.274270 -0.720294 0.270906
C -0.274488 0.723690 -2.179487
C -0.274392 0.720113 0.272802
C 1.728458 -2.292674 -0.964966
C -1.728554 2.295742 -0.958921
C 2.945591 -2.309771 -0.012202
C -2.945691 2.310319 -0.006127
C 4.047232 -1.330447 -0.451093
C -4.047322 1.332157 -0.447616
C 6.037148 -0.228685 0.588879
C -6.037238 0.227635 0.589425
C 5.786660 1.007510 -0.044374
C -5.786741 -1.006878 -0.047100
C 7.248279 -0.418799 1.297329
C -7.248373 0.415865 1.298370
C 6.729021 2.031550 0.045024
C -6.729097 -2.031155 0.039580
C 8.171948 0.620380 1.374035
C -8.172037 -0.623519 1.372319
C 7.922618 1.848068 0.749265
C -7.922698 -1.849545 0.744300
H -0.568787 -1.438434 -2.257532
H 0.917865 -0.860369 -3.075957
H 0.917508 -0.864746 1.165788
H -0.569006 -1.441580 0.346153
H 0.568702 1.444945 -2.253690
H -0.917934 0.869054 -3.073677
H -0.917643 0.862207 1.168052
H 0.568881 1.441201 0.349958
H 2.080344 -2.535606 -1.993133
H 1.024927 -3.105324 -0.687299
H -2.080427 2.541390 -1.986446
H -1.025020 3.107649 -0.679097
H 2.646384 -2.143153 1.045751
H -2.646493 2.140907 1.051384
H 4.483387 -1.660573 -1.420257
H 3.592893 -0.322140 -0.614821
H -4.483473 1.664847 -1.415904
H -3.592975 0.324291 -0.614012
H 3.040799 -4.287944 0.344344
H -3.040906 4.287542 0.355643
H 5.435877 -2.191925 0.855580
H -5.435979 2.190165 0.861326
H 4.859490 1.168299 -0.587779
H -4.859568 -1.166222 -0.590926
H 7.453676 -1.365280 1.788226
H -7.453777 1.361042 1.791772
H 6.530418 2.985766 -0.442246
H -6.530488 -2.984076 -0.450215
H 9.101051 0.473695 1.924466
H -9.101144 -0.478297 1.923132
H 8.650737 2.650481 0.811753
H -8.650814 -2.652126 0.804659


%chk=000290374-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290374

0 1
O 3.811953 -3.467284 -0.205741
O -3.811142 3.468162 -0.195946
N 1.151349 -0.885219 -1.057703
N -1.151294 0.887739 -1.055267
N 5.284792 -1.217730 0.446900
N -5.284638 1.217187 0.450451
C 0.319743 -0.695856 -2.273655
C 0.324592 -0.697081 0.161453
C -0.319720 0.701625 -2.271757
C -0.324530 0.696211 0.163362
C 1.895395 -2.163955 -1.069589
C -1.895071 2.166658 -1.063644
C 3.101472 -2.170627 -0.104580
C -3.101062 2.171001 -0.098510
C 4.141205 -1.101036 -0.454239
C -4.141170 1.102735 -0.451125
C 6.264326 -0.232929 0.604502
C -6.264538 0.232294 0.605199
C 6.162065 1.052839 -0.007192
C -6.162783 -1.051727 -0.010240
C 7.405980 -0.504598 1.420414
C -7.406068 0.502022 1.421923
C 7.161679 2.026348 0.208561
C -7.162787 -2.025465 0.202676
C 8.396824 0.474308 1.620414
C -8.397301 -0.477069 1.619075
C 8.285896 1.753554 1.020493
C -8.286888 -1.754599 1.015413
H -0.494105 -1.461170 -2.338425
H 0.965124 -0.802197 -3.164928
H 0.963972 -0.792435 1.057061
H -0.480890 -1.472093 0.226636
H 0.494115 1.467123 -2.334493
H -0.965127 0.810374 -3.162720
H -0.963911 0.789134 1.059220
H 0.480986 1.471007 0.230658
H 2.284558 -2.335451 -2.090814
H 1.232923 -3.036207 -0.820615
H -2.284288 2.340985 -2.084368
H -1.232380 3.038089 -0.812382
H 2.774013 -2.021054 0.946243
H -2.773589 2.018354 0.951869
H 4.430741 -1.217859 -1.524188
H 3.655370 -0.114813 -0.349194
H -4.430767 1.222752 -1.520704
H -3.655647 0.116053 -0.348971
H 3.207001 -4.198452 0.077190
H -3.205991 4.198322 0.089154
H 5.525629 -2.179659 0.696463
H -5.525148 2.178472 0.702802
H 5.313666 1.290019 -0.657144
H -5.314483 -1.287348 -0.660890
H 7.501638 -1.488474 1.897641
H -7.501326 1.484533 1.902033
H 7.061358 3.006974 -0.272329
H -7.062861 -3.004719 -0.281084
H 9.262570 0.238914 2.250954
H -9.262944 -0.243180 2.250317
H 9.058429 2.513056 1.179333
H -9.059720 -2.514257 1.172033


