%chk=000211394.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211394

0 1
O 0.319109 -3.803026 -1.115465
O 2.757774 2.753132 -0.431175
O 0.972638 -0.297271 2.204906
O -1.284372 0.529625 -0.273573
O -4.776465 -0.245695 -0.377140
O -2.928788 -1.615485 -0.350113
N 1.432444 -1.576972 0.321112
N 1.347806 3.034044 -0.637962
N -3.496237 -0.450597 -0.352091
C 1.123687 -2.845242 1.026317
C 1.679132 -1.729798 -1.129934
C -0.022367 -3.582571 0.305158
C 0.509980 -2.506281 -1.780702
C 1.313787 -0.378222 0.991289
C 1.646779 0.883369 0.237450
C 0.721455 1.897176 -0.215076
C 2.902360 1.456303 0.094649
C -0.724564 1.823187 -0.274330
C 4.292138 1.003094 0.399163
C -1.742028 2.778922 -0.342404
C -2.988054 2.072586 -0.377513
C -2.668144 0.718571 -0.333688
H 0.850554 -2.597282 2.065550
H 2.031392 -3.479937 1.027619
H 2.617317 -2.301349 -1.276937
H 1.790958 -0.736643 -1.596414
H -0.167709 -4.587709 0.732321
H -0.963874 -3.002496 0.377056
H -0.423310 -1.909138 -1.719365
H 0.739400 -2.740347 -2.833280
H 4.357752 0.626871 1.434958
H 4.605067 0.185278 -0.275219
H 5.000030 1.838883 0.281595
H -1.591660 3.855682 -0.351876
H -3.992188 2.485536 -0.423786


%chk=000211394-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211394

0 1
O 0.302043 -3.823337 -1.072974
O 2.769920 2.747536 -0.479864
O 1.021578 -0.272520 2.223334
O -1.278396 0.529130 -0.269052
O -4.774691 -0.231672 -0.348694
O -2.934112 -1.609676 -0.287917
N 1.419689 -1.573088 0.323788
N 1.358529 3.022228 -0.691652
N -3.495546 -0.442397 -0.320147
C 1.126836 -2.835255 1.047017
C 1.643989 -1.738613 -1.129918
C -0.022471 -3.589405 0.349261
C 0.472528 -2.532161 -1.754554
C 1.332295 -0.366642 0.992406
C 1.660713 0.886792 0.220056
C 0.733282 1.892251 -0.250595
C 2.914510 1.460042 0.069450
C -0.712897 1.819652 -0.307877
C 4.300475 1.013957 0.392903
C -1.726392 2.777494 -0.403674
C -2.975404 2.076111 -0.417807
C -2.661627 0.722572 -0.334595
H 0.864631 -2.576717 2.086431
H 2.038542 -3.464529 1.045807
H 2.585860 -2.301347 -1.287559
H 1.739033 -0.749328 -1.607880
H -0.154175 -4.590614 0.789917
H -0.967385 -3.015806 0.427065
H -0.465094 -1.942796 -1.686258
H 0.689070 -2.775527 -2.807762
H 4.282970 -0.022921 0.764356
H 4.954552 1.064263 -0.495631
H 4.747720 1.653741 1.174544
H -1.571067 3.852806 -0.444724
H -3.977710 2.491974 -0.476099


