%chk=000191314.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191314

0 1
O 1.673540 -1.480431 -1.052820
O -4.074690 1.449512 1.177347
O 2.040519 4.048513 2.263051
O 4.800388 -0.331321 1.146906
O -3.555656 -1.559278 -1.549343
O 3.471101 2.600083 1.364142
N 2.381740 0.367973 0.143455
N -2.468735 0.051747 0.298739
C 1.129617 0.898336 0.537254
C -1.304112 0.789783 0.636022
C 1.094037 2.134546 1.253364
C -0.073353 0.241657 0.236332
C -1.347089 2.012532 1.345564
C -0.162924 2.658639 1.639623
C 2.592105 -0.805346 -0.622988
C 4.015948 -1.124156 -0.928242
C -4.868290 -0.519832 0.124958
C -3.806393 0.427038 0.572972
C 2.300568 2.871297 1.589000
C 5.102952 -0.888787 -0.065253
C -4.765291 -1.470170 -0.906860
C 4.285911 -1.741261 -2.164463
C -6.111050 -0.415459 0.783860
C 6.422898 -1.221573 -0.416085
C 5.588464 -2.077295 -2.528752
C -5.838606 -2.298257 -1.277664
C -7.184273 -1.232280 0.435467
C 6.653801 -1.814388 -1.655525
C -7.047093 -2.172097 -0.595685
H -0.042871 -0.705517 -0.317391
H -2.308247 2.438640 1.653688
H -0.182687 3.608521 2.188480
H 3.232300 0.879042 0.491399
H -2.302467 -0.818286 -0.235541
H 3.448304 -1.955829 -2.837342
H -6.217663 0.333007 1.579549
H 7.243621 -1.023120 0.266382
H 5.779403 -2.547147 -3.491710
H -5.728655 -3.021160 -2.080515
H -8.132847 -1.137191 0.961751
H 7.671895 -2.078635 -1.947422
H -7.891733 -2.808047 -0.867692
H 2.878231 4.540302 2.478911
H 5.603843 -0.081014 1.672107
H -3.550361 -2.238090 -2.271627


%chk=000191314-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191314

0 1
O 1.580148 -1.383474 -1.084682
O -4.198142 1.416301 1.384178
O 2.083813 3.932272 2.745170
O 5.024268 0.469454 0.509023
O -3.248095 -1.959615 -1.049461
O 3.517476 2.489837 1.648466
N 2.368018 0.392682 0.247508
N -2.494396 0.146353 0.381539
C 1.130649 0.918656 0.695481
C -1.340614 0.843482 0.801040
C 1.103451 2.098078 1.534906
C -0.104001 0.319311 0.345855
C -1.371941 2.001275 1.629142
C -0.154721 2.598169 1.973591
C 2.548327 -0.705343 -0.601536
C 3.961923 -1.087356 -0.981639
C -4.853472 -0.508337 0.071235
C -3.828636 0.432484 0.667823
C 2.325511 2.801818 1.943619
C 5.162818 -0.520031 -0.467944
C -4.592092 -1.647100 -0.744140
C 4.091860 -2.114512 -1.954550
C -6.212001 -0.215385 0.363111
C 6.433870 -0.952221 -0.913249
C 5.349320 -2.554909 -2.408372
C -5.640975 -2.453165 -1.241530
C -7.267236 -1.008340 -0.124947
C 6.526754 -1.967519 -1.886666
C -6.979223 -2.134191 -0.932027
H -0.076377 -0.565041 -0.294015
H -2.326591 2.398042 1.974188
H -0.151582 3.489017 2.606420
H 3.224700 0.872801 0.594887
H -2.339915 -0.683295 -0.213028
H 3.162233 -2.547738 -2.336693
H -6.396482 0.662848 0.990546
H 7.341713 -0.498342 -0.495979
H 5.414951 -3.345853 -3.161974
H -5.412188 -3.325448 -1.867534
H -8.303427 -0.754990 0.119138
H 7.512336 -2.299128 -2.230987
H -7.788330 -2.762024 -1.320059
H 2.962372 4.339361 2.970288
H 5.865659 0.918437 0.759448
H -3.165633 -2.762122 -1.618188


