%chk=000249398.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249398

0 1
O 0.926936 1.505587 -1.928774
O 3.568289 -1.975186 2.878990
O 2.343167 -0.163795 2.433648
N 0.622978 0.984484 0.308614
C -4.010448 0.693384 -1.765267
C -2.940311 0.614572 -0.700067
C -3.512718 0.209953 0.545572
C -5.262606 0.293791 -1.019287
C -4.952545 0.010600 0.349488
C -1.588581 0.875969 -0.820665
C -2.710889 0.071672 1.670673
C -0.783567 0.731158 0.331993
C -6.559786 0.185596 -1.487495
C -5.950336 -0.377580 1.230896
C -1.338937 0.332181 1.564946
C -7.566892 -0.209482 -0.585578
C -7.267544 -0.485546 0.747670
C 2.840547 1.537677 -0.482813
C 1.384710 1.344719 -0.814596
C 3.696831 0.439185 -0.311396
C 3.205817 -0.952047 -0.466738
C 3.334034 2.842887 -0.368028
C 5.050775 0.657244 -0.014700
C 2.862826 -1.743135 0.645231
C 3.109584 -1.500557 -1.753984
C 4.683871 3.053044 -0.073843
C 5.539395 1.960740 0.104752
C 2.467082 -3.078224 0.469836
C 2.694265 -2.823411 -1.925975
C 2.381343 -3.615534 -0.815608
C 2.870639 -1.172391 2.011151
H -3.797241 0.013790 -2.612298
H -4.089556 1.711861 -2.191648
H -1.149140 1.184633 -1.773481
H -3.136611 -0.234241 2.624402
H -6.805446 0.398611 -2.524063
H -5.726023 -0.593960 2.271616
H -0.706239 0.226305 2.444268
H -8.591910 -0.298343 -0.940684
H -8.060174 -0.788951 1.429073
H 1.123922 0.840413 1.208904
H 2.663837 3.692355 -0.512465
H 5.720120 -0.192681 0.118909
H 3.351972 -0.883411 -2.622043
H 5.068486 4.068534 0.015867
H 6.591747 2.125974 0.336372
H 2.226895 -3.690300 1.341797
H 2.613924 -3.239226 -2.931788
H 2.066631 -4.649790 -0.953388
H 3.575077 -1.615029 3.809807


%chk=000249398-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249398

0 1
O 0.906010 2.074873 -1.937255
O 3.155130 -2.064093 3.159232
O 2.295734 -0.045777 2.424615
N 0.663938 0.974599 0.140044
C -4.109547 0.906101 -1.740415
C -2.974513 0.700999 -0.742734
C -3.485386 0.124055 0.459491
C -5.327915 0.383540 -0.986426
C -4.938020 -0.072999 0.311630
C -1.613510 1.004692 -0.894242
C -2.608272 -0.152244 1.532593
C -0.733113 0.719670 0.189258
C -6.670711 0.311081 -1.394589
C -5.898979 -0.602703 1.202255
C -1.239307 0.145449 1.393146
C -7.634694 -0.220904 -0.500071
C -7.249309 -0.672986 0.786902
C 2.879749 1.641845 -0.575916
C 1.398542 1.575102 -0.876151
C 3.637328 0.492729 -0.212522
C 3.110459 -0.912771 -0.335771
C 3.508506 2.908891 -0.648920
C 5.005758 0.655626 0.129344
C 2.873981 -1.764229 0.786352
C 3.004214 -1.474619 -1.632819
C 4.869441 3.057655 -0.310671
C 5.615953 1.927816 0.096699
C 2.603441 -3.146195 0.602429
C 2.693082 -2.840157 -1.815098
C 2.512272 -3.685061 -0.695550
C 2.759392 -1.187667 2.149339
H -3.934509 0.350713 -2.682745
H -4.221348 1.971899 -2.020916
H -1.213146 1.456446 -1.803975
H -2.978379 -0.590464 2.466123
H -6.975248 0.660007 -2.388346
H -5.609607 -0.954281 2.199301
H -0.546258 -0.056777 2.218871
H -8.685609 -0.282813 -0.804602
H -8.007050 -1.080622 1.465896
H 1.202046 0.709873 0.983697
H 2.911103 3.770407 -0.964347
H 5.596685 -0.228559 0.394783
H 3.183952 -0.831410 -2.500496
H 5.342474 4.044273 -0.359520
H 6.672599 2.032284 0.366495
H 2.441812 -3.776278 1.481944
H 2.608761 -3.246079 -2.828985
H 2.289872 -4.748017 -0.834086
H 2.990396 -1.638823 4.044530


