%chk=000197985.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197985

0 1
O 6.339219 1.004781 0.355983
O -0.344584 0.328403 -0.102928
N 3.278123 -0.046874 -0.204639
C 3.723211 0.828573 -1.330681
C 4.273760 -0.170822 0.907838
C 1.947287 0.379844 0.336507
C 4.526301 2.081598 -0.945145
C 5.721207 -0.294946 0.416624
C 6.021769 1.792287 -0.806707
C 0.871072 -0.390258 -0.445694
C -1.548853 -0.244547 -0.669803
C -1.912971 -1.530119 0.048202
C -2.621162 0.808160 -0.470527
C -2.476733 -2.596421 -0.664729
C -3.801975 0.731142 -1.223951
C -1.696189 -1.647713 1.427903
C -2.446623 1.845680 0.454209
C -2.821985 -3.775119 0.003589
C -4.801116 1.692050 -1.049511
C -2.039640 -2.828136 2.091066
C -3.448306 2.806047 0.621557
C -2.603625 -3.892856 1.379868
C -4.625929 2.730601 -0.128510
H 2.832613 1.125908 -1.926785
H 4.329560 0.178477 -2.003176
H 3.994644 -1.092168 1.468914
H 4.229273 0.679867 1.626396
H 1.757065 1.472573 0.253656
H 1.852212 0.140628 1.416649
H 4.376605 2.870019 -1.707246
H 4.142357 2.507307 0.003012
H 6.354313 -0.802812 1.169782
H 5.807539 -0.815834 -0.550413
H 6.428858 1.285953 -1.699556
H 6.602939 2.712426 -0.602845
H 0.787528 -1.440843 -0.122215
H 1.018730 -0.344992 -1.537212
H -1.368164 -0.421395 -1.756691
H -2.650013 -2.512837 -1.735467
H -3.946362 -0.077392 -1.937331
H -1.255255 -0.809479 1.969825
H -1.521893 1.898948 1.032319
H -3.261778 -4.602741 -0.549900
H -5.718615 1.631154 -1.631861
H -1.870809 -2.917958 3.162631
H -3.310174 3.613051 1.338745
H -2.873031 -4.811354 1.897432
H -5.405600 3.477640 0.004119


%chk=000197985-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197985

0 1
O 6.467933 0.921906 0.334067
O -0.415973 0.527637 0.124157
N 3.293651 0.066790 -0.023380
C 3.776869 0.601644 -1.319050
C 4.271616 -0.030514 1.089549
C 1.980316 0.595540 0.407867
C 4.719696 1.840121 -1.260107
C 5.723946 -0.303860 0.663373
C 6.192850 1.463202 -1.003193
C 0.824636 -0.151693 -0.277293
C -1.625005 -0.028646 -0.516223
C -1.911492 -1.449792 -0.026836
C -2.771532 0.954811 -0.257346
C -1.877671 -2.543524 -0.923726
C -4.105064 0.572694 -0.552103
C -2.186113 -1.688885 1.343922
C -2.519825 2.262512 0.223010
C -2.123860 -3.859504 -0.465758
C -5.168633 1.484341 -0.375030
C -2.425610 -2.999986 1.805557
C -3.586446 3.172218 0.408024
C -2.398132 -4.090002 0.900995
C -4.913336 2.789774 0.106713
H 2.879126 0.855059 -1.912555
H 4.297518 -0.199125 -1.885534
H 3.943367 -0.852167 1.759492
H 4.302554 0.898223 1.710771
H 1.868244 1.688384 0.213005
H 1.878428 0.458001 1.499661
H 4.678592 2.361563 -2.238778
H 4.369952 2.559125 -0.494092
H 6.272199 -0.723692 1.524262
H 5.769926 -1.035307 -0.172107
H 6.516990 0.728162 -1.776534
H 6.845437 2.351088 -1.067574
H 0.818440 -1.213858 0.037183
H 0.928312 -0.118019 -1.385122
H -1.443391 -0.076526 -1.616749
H -1.658152 -2.366284 -1.984780
H -4.312013 -0.443016 -0.909855
H -2.207933 -0.841410 2.038354
H -1.490335 2.548298 0.453910
H -2.097714 -4.698689 -1.169998
H -6.194278 1.175570 -0.607337
H -2.636813 -3.176159 2.866467
H -3.380089 4.180317 0.785952
H -2.587817 -5.107844 1.260190
H -5.738572 3.497024 0.247882


