%chk=000194104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194104

0 1
O 0.234077 -0.913545 -1.460428
O -0.949866 2.420882 1.295067
O 3.395166 2.238834 0.602401
N -0.859989 -0.799126 0.525897
N -0.023713 -3.806173 -0.173414
N -4.508120 -0.050315 -0.981292
N 0.304548 1.809027 -0.516821
N -6.329121 -0.120749 0.477614
N 6.616493 -0.245939 -0.540288
N 1.772176 2.870679 2.063667
C -1.629614 0.394834 0.106599
C -2.944652 0.521110 0.888186
C 0.798882 -2.624148 0.194943
C 2.234326 -2.625269 -0.367219
C 3.070033 -1.477622 0.213443
C -4.001830 -0.452075 0.367777
C 0.045207 -1.398216 -0.354218
C 4.494576 -1.482490 -0.353579
C -0.743170 1.640148 0.374051
C 5.259712 -0.220834 0.081411
C -5.301064 -0.440872 1.212218
C -5.800384 0.115773 -0.875620
C 1.269677 2.908882 -0.360309
C 2.251598 2.622552 0.788342
H -1.853383 0.327682 -1.003110
H -2.778994 0.374099 1.974914
H -3.310513 1.572697 0.805932
H 0.848101 -2.584156 1.316758
H 2.203931 -2.534525 -1.474991
H 2.720977 -3.594752 -0.151525
H 2.587993 -0.504701 -0.019766
H 3.105147 -1.544730 1.317153
H -3.591493 -1.494283 0.293174
H -1.089296 -1.211851 1.424231
H 5.037638 -2.390727 -0.034295
H 4.472876 -1.522760 -1.462480
H 5.285096 -0.145612 1.188777
H 4.719978 0.691893 -0.274049
H -0.080509 -3.910488 -1.186093
H 0.393799 -4.658826 0.191642
H -5.321846 -0.680188 2.266713
H 0.518268 1.102348 -1.239194
H -6.495909 0.398625 -1.661599
H 1.853382 3.028663 -1.304685
H 0.735673 3.874592 -0.184509
H 7.048742 0.670335 -0.475011
H 7.222053 -0.897058 -0.052304
H 2.346455 2.668692 2.867011
H 0.784586 3.054982 2.238978


%chk=000194104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194104

0 1
O 0.141514 -0.766784 -1.699319
O -0.915403 2.589834 1.256158
O 3.493415 2.624553 0.060084
N -0.815411 -0.732943 0.409099
N -0.102555 -3.692557 -0.866751
N -4.475420 -0.222871 -0.687904
N 0.214551 1.883660 -0.661720
N -6.249106 -0.376617 0.871955
N 6.703744 -0.415998 0.188171
N 1.863318 3.050364 1.678161
C -1.626026 0.480448 0.144490
C -2.850942 0.524146 1.072858
C 0.679110 -2.631386 -0.185671
C 2.187192 -2.571879 -0.552634
C 2.987719 -1.503250 0.226762
C -3.904661 -0.536210 0.662946
C -0.011481 -1.305774 -0.549911
C 4.487276 -1.494486 -0.147177
C -0.750504 1.753200 0.302217
C 5.275291 -0.370728 0.559674
C -5.136172 -0.601048 1.553763
C -5.776301 -0.151662 -0.491119
C 1.165232 3.009318 -0.677374
C 2.292189 2.872639 0.381183
H -1.966563 0.413825 -0.906226
H -2.541558 0.369092 2.124127
H -3.299542 1.530084 1.025877
H 0.584932 -2.800508 0.907160
H 2.267937 -2.375143 -1.639695
H 2.623063 -3.575203 -0.366588
H 2.566540 -0.498201 0.021059
H 2.879100 -1.675359 1.319731
H -3.418793 -1.533802 0.596878
H -0.854172 -1.150546 1.341534
H 4.936826 -2.479677 0.103386
H 4.606739 -1.360852 -1.239387
H 5.096512 -0.449646 1.662746
H 4.868440 0.607846 0.245259
H -0.137596 -3.557902 -1.884268
H 0.196673 -4.641371 -0.617473
H -5.150745 -0.805484 2.627984
H 0.306001 1.113791 -1.350378
H -6.499331 0.069480 -1.277185
H 1.645770 3.050021 -1.665804
H 0.608977 3.948052 -0.499436
H 7.209682 0.461955 0.331045
H 7.214074 -1.224339 0.556765
H 2.541544 2.964018 2.435378
H 0.856625 3.161202 1.869672


