%chk=000187273.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187273

0 1
O -1.140198 0.910338 0.523444
O -0.063447 -2.191154 0.117720
O -2.707843 1.430670 -1.028886
O 1.643619 -3.573779 -0.558690
O -5.598982 -2.825833 -0.674593
O -3.452759 -3.389676 -0.926008
N 1.817634 2.068519 1.240853
N 2.111897 0.559322 -1.852010
N 1.574324 2.709028 -1.068645
N 2.814599 -0.162727 1.353040
N 3.343651 1.451419 2.989627
N 3.004860 2.530858 -3.016898
N -0.504620 -3.754631 -1.447974
C 1.068659 1.779080 -0.017327
C 1.288118 0.327640 -0.618561
C -0.416882 2.161823 0.284775
C -0.432728 2.918454 1.617102
C 1.027522 2.999091 2.102487
C 1.915216 -0.711165 0.335761
C 2.628908 1.049832 1.818965
C 2.232296 2.001183 -1.972410
C 0.810274 -1.510948 1.064756
C -2.268668 0.646262 -0.224629
C -2.766235 -0.720787 0.149531
C 0.479451 -3.242582 -0.619663
C -4.081330 -1.036198 -0.554405
C -4.265912 -2.511309 -0.734114
H 0.296992 -0.065951 -0.979384
H -0.895102 2.712236 -0.555711
H -0.868076 3.926233 1.494710
H -1.070387 2.386360 2.349367
H 1.120307 2.746335 3.177869
H 1.439860 4.021896 1.949308
H 2.536590 -1.450136 -0.258306
H 2.983696 0.023693 -1.894548
H 1.247033 -2.260659 1.748716
H 0.082574 -0.858749 1.586610
H 3.755635 2.378310 2.934893
H 4.034962 0.764047 3.292389
H 2.875225 3.527169 -3.178709
H 3.016464 1.994883 -3.877653
H -1.968682 -1.473620 -0.110838
H -2.863115 -0.807894 1.253819
H -4.946597 -0.594453 -0.007288
H -4.118153 -0.542926 -1.561453
H -0.326618 -4.637413 -1.908296
H -1.486476 -3.522394 -1.295641
H -5.777557 -3.797395 -0.813803


%chk=000187273-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187273

0 1
O -1.294687 1.041875 0.664691
O 0.021807 -2.251404 0.121207
O -2.545906 1.108195 -1.311130
O 1.654988 -3.836596 -0.511383
O -5.687934 -2.903738 -0.815279
O -3.429695 -3.377258 -0.804586
N 1.507730 1.708002 1.375258
N 2.032589 0.831767 -1.948449
N 1.676044 2.821785 -0.814143
N 3.032842 -0.106886 0.996569
N 3.400191 1.390761 2.769819
N 3.074025 2.843369 -2.755316
N -0.610588 -4.081704 -1.087010
C 0.998690 1.746072 -0.014912
C 1.238872 0.383781 -0.774428
C -0.464579 2.206537 0.210560
C -0.352657 3.205152 1.376256
C 0.873130 2.736453 2.220974
C 2.010245 -0.668957 0.080147
C 2.650598 0.967798 1.671741
C 2.268823 2.206669 -1.829955
C 1.050434 -1.540852 0.931212
C -2.271972 0.571866 -0.211054
C -2.912565 -0.691846 0.339634
C 0.458327 -3.447766 -0.506773
C -4.200586 -1.053906 -0.425202
C -4.350799 -2.534637 -0.679083
H 0.283639 -0.056728 -1.109863
H -0.910698 2.618294 -0.707071
H -0.159697 4.204312 0.953403
H -1.282926 3.239741 1.964975
H 0.578302 2.297372 3.192106
H 1.543169 3.598813 2.418633
H 2.534200 -1.358234 -0.608678
H 2.737449 0.203011 -2.339530
H 1.652187 -2.281629 1.483369
H 0.457816 -0.919502 1.621694
H 3.425593 2.372787 3.035384
H 4.194881 0.799428 3.007382
H 3.237073 3.838203 -2.627726
H 3.275497 2.418686 -3.655849
H -2.150281 -1.491058 0.240415
H -3.090225 -0.570864 1.421840
H -5.109373 -0.680524 0.074043
H -4.167080 -0.553807 -1.416943
H -0.424363 -4.948682 -1.583646
H -1.574502 -3.748206 -0.969309
H -5.748031 -3.873641 -1.034695


