%chk=000296806.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296806

0 1
O -0.811037 -2.635369 -1.920868
O 1.770485 0.543338 -1.821296
N -1.277151 -0.913733 -0.496858
C -2.586044 -0.592209 -1.133426
C -3.741456 -0.901146 -0.158583
C -2.600458 0.881276 -1.589531
C -3.836131 0.102414 0.996375
C -2.710446 1.870634 -0.423744
C -3.907220 1.545284 0.479262
C -0.463463 -1.928077 -0.989472
C 0.841408 -2.120096 -0.261971
C 1.787734 -1.099908 -0.108616
C 1.116640 -3.405354 0.228485
C 3.004250 -1.363799 0.536256
C 1.562982 0.284683 -0.657545
C 2.325640 -3.663913 0.877967
C 3.270250 -2.643006 1.030589
C 1.093963 1.322591 0.312289
C 0.868692 1.034516 1.666558
C 0.878957 2.624674 -0.168211
C 0.425976 2.039593 2.529282
C 0.437858 3.628382 0.697620
C 0.210498 3.335671 2.045998
H -2.692384 -1.254678 -2.040210
H -3.630145 -1.928072 0.239467
H -4.689916 -0.900318 -0.731030
H -3.454042 1.023866 -2.280988
H -1.691456 1.097563 -2.185216
H -2.967362 -0.013909 1.671335
H -4.728472 -0.121708 1.611304
H -2.805799 2.899841 -0.818896
H -1.775732 1.863253 0.170813
H -4.850278 1.695352 -0.081007
H -3.941646 2.250639 1.329936
H -1.008796 -0.343607 0.298685
H 0.385838 -4.204566 0.082513
H 3.746745 -0.572375 0.642905
H 2.536567 -4.663995 1.256134
H 4.217950 -2.846922 1.528665
H 1.043351 0.028543 2.053279
H 1.061440 2.840077 -1.226064
H 0.251709 1.815659 3.580839
H 0.274041 4.637636 0.321783
H -0.133141 4.118074 2.722897


%chk=000296806-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000296806

0 1
O -0.848074 -2.792256 -2.091377
O 0.699562 0.740255 -1.434402
N -1.551906 -1.215557 -0.526661
C -2.898646 -1.034029 -1.115281
C -3.969311 -0.965826 0.003002
C -2.960084 0.226648 -2.023406
C -3.900454 0.352423 0.815049
C -2.903208 1.545041 -1.215189
C -3.991961 1.586777 -0.114573
C -0.601963 -2.040581 -1.094790
C 0.743169 -2.100089 -0.394136
C 1.462991 -0.965578 0.091479
C 1.291568 -3.393916 -0.220430
C 2.696839 -1.167552 0.769844
C 1.062305 0.449189 -0.252614
C 2.521257 -3.581081 0.445203
C 3.224856 -2.462651 0.948537
C 1.125792 1.517064 0.805558
C 1.113342 1.216672 2.195435
C 1.131142 2.876716 0.388838
C 1.111046 2.258815 3.148274
C 1.141581 3.914337 1.340596
C 1.131131 3.607749 2.724109
H -3.061956 -1.930702 -1.740385
H -3.870351 -1.845096 0.667805
H -4.965740 -1.032414 -0.478030
H -3.910159 0.186116 -2.595044
H -2.132923 0.185059 -2.754616
H -2.954024 0.401130 1.396484
H -4.716900 0.371245 1.562413
H -3.021255 2.404885 -1.902260
H -1.899428 1.653810 -0.756913
H -4.993472 1.601976 -0.593339
H -3.904883 2.518982 0.476597
H -1.300530 -0.649801 0.285202
H 0.736233 -4.244522 -0.628019
H 3.263816 -0.297771 1.118627
H 2.928053 -4.590525 0.568991
H 4.184354 -2.595427 1.459776
H 1.091488 0.173729 2.529272
H 1.123816 3.088086 -0.685715
H 1.092243 2.021147 4.217437
H 1.155881 4.959040 1.011612
H 1.135166 4.415284 3.464746


