%chk=000230876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230876

0 1
O 3.454873 0.517784 -0.281071
O -3.454483 0.516127 0.284521
O 0.000379 0.650374 0.002420
O 4.173817 -0.764794 1.467738
O -4.174373 -0.753853 -1.473080
N 5.224585 -0.886038 -0.637843
N -5.225269 -0.888723 0.631620
C 5.891357 -0.023272 -1.653268
C 6.693040 -0.651086 -0.528410
C -6.693596 -0.652420 0.523408
C -5.891882 -0.032335 1.652527
C 4.302959 -0.390845 0.327520
C -4.303242 -0.387650 -0.330320
C 2.267072 0.911862 0.465365
C -2.266312 0.914357 -0.459128
C 1.181248 -0.145604 0.266470
C -1.180672 -0.144197 -0.265001
H 5.926237 -0.442668 -2.665980
H 5.705250 1.054455 -1.672874
H 7.102602 -0.035933 0.276977
H 7.314719 -1.536521 -0.711447
H -7.315705 -1.538759 0.700509
H -7.102712 -0.031828 -0.278025
H -5.705314 1.045158 1.679232
H -5.927170 -0.458337 2.662463
H 1.996698 1.870838 -0.022646
H 2.530871 1.069353 1.525083
H -1.996278 1.870758 0.034057
H -2.529361 1.077409 -1.518200
H 1.400070 -0.792200 -0.603912
H 1.012996 -0.764791 1.164496
H -1.399570 -0.794557 0.602554
H -1.012636 -0.759461 -1.165756


%chk=000230876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230876

0 1
O 3.542469 0.381542 -0.969078
O -3.542513 0.376848 0.971901
O 0.000157 0.912347 0.003279
O 4.124609 0.006489 1.287568
O -4.124103 0.016123 -1.287227
N 5.381028 -0.887520 -0.493526
N -5.381204 -0.888839 0.487812
C 6.353311 -0.527659 -1.547901
C 6.807512 -0.872939 -0.116134
C -6.807570 -0.871699 0.110042
C -6.353804 -0.535524 1.544111
C 4.350873 -0.140304 0.060797
C -4.350821 -0.138215 -0.061465
C 2.323143 1.098056 -0.517354
C -2.322770 1.095702 0.525044
C 1.190011 0.097888 -0.262439
C -1.189933 0.096717 0.264296
H 6.482924 -1.262129 -2.348708
H 6.399061 0.521684 -1.861115
H 7.153092 -0.054169 0.526081
H 7.256185 -1.849744 0.088074
H -7.256314 -1.847133 -0.100462
H -7.152850 -0.048847 -0.527098
H -6.399556 0.511826 1.863924
H -6.483770 -1.275036 2.340206
H 2.067866 1.770216 -1.350469
H 2.541992 1.675761 0.396548
H -2.067532 1.762604 1.362388
H -2.541112 1.679146 -0.385323
H 1.033897 -0.543627 -1.155930
H 1.428501 -0.545448 0.609929
H -1.033962 -0.550045 1.154024
H -1.428618 -0.541467 -0.611798


