%chk=000297837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297837

0 1
O 5.698913 1.727428 0.649364
O 1.689337 1.368761 0.582960
O 4.898158 1.200144 -1.401543
O -2.406295 0.633066 0.951682
O -1.584721 -1.449578 0.436524
N 2.900603 -0.429302 -0.087155
N -0.689669 0.503635 -0.513475
C 4.123256 -0.008898 0.636391
C 4.947624 -1.301126 0.799996
C 4.473339 -2.248602 -0.318233
C 3.098930 -1.730365 -0.788139
C 1.742185 0.338912 -0.071607
C 4.900324 1.010378 -0.212403
C 0.569335 -0.153158 -0.920426
C 6.509709 2.785721 0.071650
C -1.543616 -0.243040 0.318510
C -3.574268 0.037134 1.598893
C -4.718169 -0.031379 0.627326
C -4.910388 0.996881 -0.306395
C -5.606879 -1.114754 0.669317
C -5.989829 0.942522 -1.191470
C -6.689023 -1.160700 -0.214432
C -6.882059 -0.133889 -1.144212
H 3.852724 0.469439 1.617238
H 6.033967 -1.110814 0.746020
H 4.761262 -1.743220 1.797048
H 4.407891 -3.289234 0.042580
H 5.193595 -2.250890 -1.157453
H 2.282595 -2.433843 -0.517950
H 3.079004 -1.577100 -1.888553
H 0.449759 -1.265283 -0.877896
H 0.761167 0.106155 -1.992507
H -0.599069 1.510497 -0.312032
H 7.050013 2.414538 -0.804926
H 5.854119 3.619646 -0.199369
H 7.184551 3.047585 0.893095
H -3.294547 -0.949491 2.016483
H -3.760055 0.765135 2.413957
H -4.205725 1.828658 -0.341607
H -5.454766 -1.923959 1.381591
H -6.135596 1.739448 -1.918755
H -7.379836 -2.001491 -0.180970
H -7.724051 -0.173867 -1.832616


%chk=000297837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000297837

0 1
O 5.341936 1.986676 -0.338611
O 1.857204 1.114785 1.123395
O 3.967600 0.762943 -1.771367
O -2.647786 0.307431 1.667135
O -2.078775 -1.858335 0.894183
N 3.092500 -0.752440 0.520133
N -0.489201 -0.157875 1.128586
C 4.367242 -0.007354 0.563868
C 5.431830 -1.141226 0.513672
C 4.746342 -2.235506 -0.345138
C 3.261447 -2.166669 0.089136
C 1.906613 -0.115489 0.793716
C 4.493191 0.929824 -0.649482
C 0.634368 -0.968587 0.685745
C 5.570344 2.971645 -1.425924
C -1.754176 -0.674004 1.194665
C -4.087293 -0.111249 1.717780
C -4.811093 0.205988 0.425999
C -5.499779 1.435738 0.271509
C -4.810339 -0.725136 -0.645304
C -6.174856 1.735636 -0.932878
C -5.484574 -0.426521 -1.849944
C -6.169030 0.803413 -1.996561
H 4.432879 0.608510 1.474880
H 6.391481 -0.795967 0.096330
H 5.614677 -1.505820 1.540624
H 5.177841 -3.236817 -0.183116
H 4.832844 -1.986233 -1.416705
H 3.053153 -2.854542 0.932755
H 2.575013 -2.414190 -0.739829
H 0.725709 -1.889245 1.296355
H 0.497513 -1.304630 -0.363434
H -0.287357 0.819639 1.366739
H 6.005653 2.474136 -2.308846
H 4.615045 3.444302 -1.707550
H 6.265893 3.705885 -0.997102
H -4.117508 -1.191221 1.944267
H -4.485354 0.472879 2.562731
H -5.503276 2.159872 1.095728
H -4.266787 -1.669371 -0.527052
H -6.704636 2.688765 -1.041498
H -5.478703 -1.150983 -2.672174
H -6.693999 1.033043 -2.930913


