%chk=000227972.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227972

0 1
O 2.207406 -1.435516 0.734976
O 4.077766 -2.591150 0.264608
O -0.914862 0.401275 1.427213
N 0.600047 -0.025310 -0.255966
N -1.736520 -0.310747 -0.638345
C 1.713468 -0.042378 0.692358
C 2.906482 0.748432 0.186503
C 3.987526 -0.138710 -0.029709
C 3.547649 -1.519717 0.300080
C 3.037030 2.104334 -0.045608
C 5.215510 0.319730 -0.475709
C 4.286373 2.574644 -0.500394
C 5.354038 1.701773 -0.710780
C -0.727844 0.027578 0.283279
C -3.146230 -0.203384 -0.380404
C -5.922258 -0.058936 -0.006549
C -4.014891 -0.491447 -1.451594
C -3.662875 0.157147 0.875354
C -5.394044 -0.417950 -1.255867
C -5.043374 0.226491 1.051761
C -7.398577 0.019190 0.207330
H 1.392908 0.197633 1.738512
H 0.780000 -0.512521 -1.134940
H 2.205295 2.790059 0.113202
H 6.048388 -0.365652 -0.638091
H 4.413939 3.642158 -0.688939
H 6.311517 2.089144 -1.060648
H -1.480922 -0.596008 -1.584473
H -3.626966 -0.772045 -2.427566
H -2.991441 0.381927 1.711764
H -6.062952 -0.643048 -2.085529
H -5.442179 0.505486 2.027117
H -7.699925 1.017330 0.556237
H -7.972356 -0.188774 -0.704695
H -7.728327 -0.704637 0.966908


%chk=000227972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227972

0 1
O 2.282828 -1.522762 0.738451
O 4.339985 -2.587908 0.385734
O -0.879666 0.204213 1.631662
N 0.572414 -0.047695 -0.187336
N -1.740103 -0.228423 -0.526667
C 1.739993 -0.094546 0.638895
C 2.931664 0.695562 0.125107
C 4.047398 -0.156132 -0.003375
C 3.661806 -1.546303 0.372388
C 3.027525 2.062546 -0.189563
C 5.298236 0.320897 -0.441190
C 4.280816 2.554099 -0.632512
C 5.405060 1.695053 -0.755226
C -0.718580 -0.020102 0.397889
C -3.148478 -0.159413 -0.302554
C -5.994385 -0.051970 -0.017555
C -3.995678 -0.401288 -1.414340
C -3.726101 0.136063 0.960222
C -5.396989 -0.347580 -1.268274
C -5.129421 0.186788 1.081770
C -7.503503 0.001153 0.146702
H 1.425826 0.173845 1.663333
H 0.694151 -0.181793 -1.192820
H 2.163883 2.728667 -0.093487
H 6.150034 -0.360747 -0.530241
H 4.386086 3.615486 -0.882473
H 6.361580 2.104829 -1.096489
H -1.470264 -0.488520 -1.477815
H -3.561422 -0.632121 -2.396487
H -3.077604 0.312476 1.819990
H -6.033291 -0.538976 -2.140365
H -5.562845 0.415372 2.063437
H -7.832454 0.980308 0.542551
H -8.021169 -0.164218 -0.813897
H -7.858534 -0.770463 0.855931


