%chk=000273530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273530

0 1
O -2.712211 -1.401129 -2.272826
O -2.416717 -3.311558 1.895768
O -3.016151 2.115890 1.020521
O -2.144747 2.401460 -1.050969
N 0.996284 0.210566 -0.113258
N -2.848614 -2.452717 -0.213540
C -0.745673 -1.483245 -0.776288
C -0.642569 -2.137353 0.633365
C -0.390287 0.037807 -0.661358
C -0.238493 -1.061015 1.675403
C 1.130592 -0.476404 1.220823
C -1.319138 0.643392 0.384447
C -1.239864 0.074215 1.600813
C -2.180035 -1.715994 -1.242140
C -2.030871 -2.717290 0.922664
C 2.052336 -0.201401 -1.091365
C -2.158432 1.790763 -0.007341
C 3.420519 0.155598 -0.558444
C 3.689218 1.462735 -0.124834
C 4.432560 -0.813881 -0.519288
C -3.956011 3.217629 0.799725
C 4.962137 1.795136 0.343642
C 5.706253 -0.474065 -0.052748
C 5.973100 0.828342 0.379362
C -5.106151 2.745719 -0.063741
H -0.052798 -1.968701 -1.499669
H 0.102303 -2.964799 0.641760
H -0.479504 0.549336 -1.650734
H -0.169636 -1.504259 2.690892
H 1.466442 0.307600 1.936675
H 1.909134 -1.264391 1.220784
H -1.806168 0.365880 2.477542
H 1.877783 0.372365 -2.035156
H 2.002314 -1.278639 -1.363968
H -3.826656 -2.729689 -0.273714
H 2.895071 2.211158 -0.149038
H 4.236522 -1.829588 -0.854700
H -4.252241 3.444654 1.840002
H -3.404936 4.063395 0.350948
H 5.168057 2.810278 0.679950
H 6.491904 -1.227337 -0.026990
H 6.965070 1.090505 0.741737
H -5.895641 3.503278 -0.131093
H -4.769726 2.529278 -1.090080
H -5.556528 1.824977 0.328257


%chk=000273530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273530

0 1
O -2.683921 -1.527424 -2.400395
O -2.691757 -3.282164 1.957541
O -2.911556 2.202228 0.985898
O -2.013040 2.281611 -1.174205
N 1.008514 -0.071666 -0.054725
N -2.969059 -2.465698 -0.246002
C -0.802096 -1.644620 -0.751650
C -0.791789 -2.270378 0.673188
C -0.366335 -0.121858 -0.622565
C -0.330422 -1.194248 1.721717
C 1.098345 -0.742592 1.278351
C -1.297662 0.554133 0.369589
C -1.265840 -0.003937 1.614850
C -2.223205 -1.844012 -1.279804
C -2.232614 -2.747776 0.921099
C 2.103654 -0.392198 -0.989475
C -2.083561 1.739640 -0.041345
C 3.453609 0.144613 -0.512531
C 3.539425 1.404839 0.130548
C 4.640621 -0.593890 -0.738035
C -3.760926 3.391128 0.665064
C 4.791235 1.920361 0.531276
C 5.896098 -0.078466 -0.340687
C 5.975118 1.181409 0.295735
C -5.065317 2.959502 -0.010939
H -0.097245 -2.136353 -1.445582
H -0.116800 -3.142573 0.749066
H -0.392446 0.378890 -1.602951
H -0.311735 -1.631887 2.732091
H 1.538509 -0.059757 2.028552
H 1.753858 -1.641000 1.221395
H -1.856393 0.365435 2.457120
H 1.848220 0.072144 -1.962860
H 2.207066 -1.492841 -1.174976
H -3.963573 -2.687147 -0.341546
H 2.614293 1.963404 0.312285
H 4.584815 -1.575136 -1.226964
H -3.936083 3.855351 1.648816
H -3.180645 4.072054 0.017838
H 4.845662 2.896764 1.026314
H 6.807327 -0.659708 -0.522165
H 6.946566 1.581230 0.607675
H -5.713025 3.842368 -0.166301
H -4.864281 2.503298 -0.994512
H -5.613811 2.235430 0.616005


