%chk=000202417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202417

0 1
O -4.623357 -2.943916 0.401910
O -0.398291 0.154367 -1.489842
O -3.461315 2.476041 0.985299
O 2.856698 2.183937 -1.448907
O 1.204798 -0.907063 1.580838
N -1.924169 1.416033 -0.336731
N -3.380415 -0.496687 -0.312893
N 1.754711 0.850563 0.124819
C 0.522194 1.653158 0.195172
C 0.076568 1.882574 1.646319
C -1.177685 2.746436 1.665361
C -3.049214 0.729676 -1.077728
C -0.601004 0.964557 -0.612165
C -2.292522 2.210537 0.796178
C -4.781028 -0.505052 0.207468
C -3.047113 -1.754295 -1.047747
C 2.824282 1.173016 -0.800605
C 1.954796 -0.427709 0.773679
C -4.950149 -1.733623 1.115923
C -3.268519 -2.940045 -0.095676
C 3.784491 0.028218 -0.687142
C 3.270412 -0.918934 0.242723
C 4.985636 -0.180227 -1.329936
C 3.955788 -2.078591 0.533383
C 5.691734 -1.370919 -1.033353
C 5.189915 -2.295869 -0.125546
H 0.733470 2.644919 -0.310191
H 0.889544 2.361961 2.227401
H -0.111135 0.904568 2.150092
H -0.954052 3.789878 1.350251
H -1.562739 2.842297 2.706767
H -2.687049 0.523432 -2.114006
H -3.897609 1.454774 -1.132460
H -5.541562 -0.526544 -0.601711
H -4.937053 0.430318 0.795482
H -1.975011 -1.702011 -1.354130
H -3.654163 -1.889736 -1.967940
H -4.314822 -1.665692 2.016705
H -6.003765 -1.901022 1.398629
H -3.203255 -3.911093 -0.615759
H -2.570932 -2.912509 0.760356
H 5.382010 0.542049 -2.045181
H 3.564494 -2.808573 1.243665
H 6.644219 -1.557199 -1.532946
H 5.747967 -3.209299 0.088473


%chk=000202417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202417

0 1
O -4.564588 -3.011977 0.569097
O -0.387172 0.179990 -1.564309
O -3.499654 2.449751 1.061330
O 3.060481 2.374790 -1.143749
O 0.933369 -1.137813 1.159226
N -1.933472 1.355920 -0.273060
N -3.524456 -0.534331 -0.441284
N 1.733907 0.827364 0.079070
C 0.532778 1.653681 0.171855
C 0.120037 1.974075 1.623198
C -1.148853 2.844595 1.597977
C -3.075856 0.693904 -1.043986
C -0.616529 0.987746 -0.625628
C -2.287713 2.214173 0.803897
C -4.862754 -0.573009 0.182076
C -3.117542 -1.813927 -1.058031
C 2.906373 1.242167 -0.624786
C 1.829857 -0.522539 0.531198
C -4.915542 -1.726846 1.200122
C -3.208713 -2.934616 -0.007885
C 3.834389 0.070651 -0.580371
C 3.190471 -0.985480 0.110558
C 5.128939 -0.075304 -1.100580
C 3.820819 -2.223309 0.304729
C 5.774754 -1.324620 -0.910184
C 5.130604 -2.381895 -0.218513
H 0.789014 2.598888 -0.353494
H 0.942018 2.510184 2.128558
H -0.063150 1.034060 2.172139
H -0.929368 3.833624 1.146113
H -1.533700 3.037866 2.612577
H -2.674515 0.534349 -2.059286
H -3.880519 1.446988 -1.063204
H -5.663309 -0.730411 -0.580677
H -5.048267 0.387206 0.695820
H -2.078834 -1.726471 -1.422367
H -3.775428 -2.074127 -1.922340
H -4.210428 -1.515617 2.033076
H -5.934835 -1.863841 1.598082
H -3.026370 -3.923743 -0.459786
H -2.467431 -2.745220 0.798097
H 5.614747 0.746795 -1.635137
H 3.313799 -3.033662 0.837542
H 6.785042 -1.477803 -1.304156
H 5.653402 -3.335504 -0.089227


