%chk=000253785.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253785

0 1
O -4.666594 -1.879204 0.768567
O 6.769969 0.844292 -0.877165
O -5.733887 2.574497 -0.010713
O -3.827007 3.485044 -0.478253
N -4.600053 2.543437 -0.444391
C -1.407255 -1.130533 0.026067
C -0.856920 0.326265 -0.090904
C 0.545034 0.433999 0.525094
C 1.494217 -0.500867 -0.277619
C -2.866708 -0.935575 -0.505180
C -1.991484 1.192033 0.473032
C -0.508910 -2.025474 -0.845985
C -3.291789 0.456905 0.056584
C 2.949625 -0.466132 0.295443
C 0.947457 -1.944437 -0.356680
C 1.066822 1.877462 0.464256
C -1.451123 -1.656866 1.466920
C 3.429094 0.982501 0.413519
C 2.482628 1.970882 1.037283
C 3.865431 -1.250492 -0.685431
C -4.103747 1.227639 -1.002011
C -3.811021 -2.047592 -0.070131
C 3.030988 -1.085295 1.701891
C 5.353531 -1.022507 -0.435091
C 4.664466 1.369693 0.055921
C 5.696038 0.454528 -0.468979
C -3.629833 -3.365148 -0.767962
H -0.761312 0.578123 -1.179518
H 0.514452 0.103306 1.591163
H 1.546561 -0.101368 -1.322607
H -2.842669 -0.912214 -1.618496
H -1.929806 1.278629 1.571719
H -1.948764 2.227585 0.088528
H -0.567455 -1.719190 -1.906942
H -0.860018 -3.076292 -0.816553
H -3.941185 0.299099 0.957694
H 1.025719 -2.429232 0.636712
H 1.584616 -2.544653 -1.034643
H 0.391824 2.551611 1.026529
H 1.058236 2.249580 -0.579090
H -0.478437 -1.553522 1.964022
H -2.180168 -1.113262 2.081157
H -1.723425 -2.716746 1.506734
H 2.463941 1.792762 2.135196
H 2.858057 3.009635 0.921140
H 3.627312 -0.954187 -1.727537
H 3.643884 -2.332956 -0.619278
H -4.982732 0.621390 -1.320841
H -3.483869 1.433478 -1.902100
H 4.031044 -0.961391 2.134500
H 2.314908 -0.621244 2.389751
H 2.817767 -2.159600 1.682146
H 5.964598 -1.566670 -1.183714
H 5.662649 -1.434939 0.547050
H 4.995262 2.407046 0.137590
H -4.055293 -3.343563 -1.779986
H -2.570785 -3.649848 -0.860815
H -4.147981 -4.172323 -0.227094


%chk=000253785-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253785

0 1
O -4.627190 -2.079908 0.734282
O 6.814739 0.909339 -1.156974
O -5.653492 2.454142 0.420428
O -3.988309 3.575162 -0.668965
N -4.640091 2.503169 -0.369084
C -1.416234 -1.194384 0.129352
C -0.850596 0.257678 0.002299
C 0.566122 0.426532 0.587412
C 1.532727 -0.563331 -0.139416
C -2.850068 -0.958743 -0.509389
C -1.991822 1.159352 0.526301
C -0.473691 -2.134261 -0.659686
C -3.301654 0.418213 0.090650
C 3.032735 -0.467256 0.365398
C 0.986849 -2.020304 -0.141021
C 1.074208 1.876894 0.422847
C -1.563125 -1.670574 1.599079
C 3.470468 1.009694 0.330234
C 2.523588 2.025753 0.941637
C 3.933761 -1.310823 -0.590729
C -4.141132 1.188830 -0.954009
C -3.851437 -2.091536 -0.260481
C 3.186784 -0.981857 1.832460
C 5.439929 -1.000400 -0.470665
C 4.676628 1.412990 -0.185683
C 5.723476 0.488019 -0.664027
C -3.873545 -3.233414 -1.267497
H -0.757515 0.451334 -1.092513
H 0.538797 0.193961 1.672837
H 1.556380 -0.227400 -1.203160
H -2.692913 -0.870497 -1.606098
H -1.949644 1.252631 1.627154
H -1.942047 2.183248 0.114517
H -0.502678 -1.862735 -1.736504
H -0.797212 -3.190952 -0.579500
H -3.957228 0.216175 0.957589
H 1.036829 -2.446491 0.878783
H 1.629939 -2.656801 -0.776234
H 0.415695 2.580110 0.966557
H 1.034191 2.158041 -0.649868
H -0.603789 -1.623374 2.140504
H -2.297983 -1.070886 2.161940
H -1.911685 -2.718898 1.632793
H 2.512015 1.884399 2.043935
H 2.899876 3.048784 0.760372
H 3.617130 -1.113793 -1.635520
H 3.769524 -2.387753 -0.401566
H -5.041387 0.616815 -1.233955
H -3.548195 1.456703 -1.843635
H 4.219872 -0.828971 2.191865
H 2.514191 -0.453708 2.530885
H 2.966402 -2.061880 1.898993
H 6.031707 -1.572936 -1.206507
H 5.818303 -1.287592 0.531724
H 4.936843 2.479267 -0.218727
H -4.368990 -2.891601 -2.198210
H -2.852239 -3.547115 -1.547733
H -4.437912 -4.088960 -0.864973


