%chk=000194426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194426

0 1
O 1.235006 1.703502 -0.880253
O -0.393791 4.492788 -0.907779
O -2.065926 3.011910 -1.101667
O -0.502213 -2.957490 0.955971
O -1.321001 -2.392451 -1.050752
O 4.738349 -1.631208 -1.757890
O 4.562482 -1.432440 0.471144
N -1.519356 3.443473 1.893188
N -3.802781 -1.537221 0.244955
N 2.253977 -3.240450 0.260454
C -0.342972 1.409006 0.910429
C -1.587903 0.596406 0.504762
C -0.565059 2.945222 0.876406
C -2.016820 -0.415529 1.574456
C 0.825868 0.994494 0.007790
C 1.442783 -0.356258 0.310507
C -2.552260 -1.744455 0.999383
C 1.671158 -1.146155 -0.980662
C 2.656082 -2.320956 -0.832889
C -1.123172 3.424227 -0.467365
C -1.437337 -2.382976 0.155317
C 4.057218 -1.748710 -0.580116
H -0.062529 1.157033 1.966208
H -1.410983 0.095246 -0.472503
H -2.439461 1.277533 0.272712
H 0.428892 3.458722 1.035738
H -2.813490 0.028442 2.209092
H -1.178828 -0.652262 2.261664
H 2.408257 -0.182941 0.840317
H 0.819763 -0.950177 1.012382
H -2.780331 -2.442331 1.855925
H 0.697508 -1.544826 -1.356355
H 2.037097 -0.463558 -1.782979
H 2.665602 -2.893948 -1.804908
H -2.399835 2.933696 1.864874
H -1.136211 3.362569 2.829203
H -3.684096 -0.860799 -0.507004
H -4.130082 -2.403691 -0.176079
H 2.757647 -4.123946 0.198592
H 2.461965 -2.835114 1.176254
H -0.714965 4.843666 -1.783919
H 0.305556 -3.331810 0.433964
H 5.642194 -1.221535 -1.651466


%chk=000194426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194426

0 1
O 1.738641 2.051431 -0.125595
O -0.667452 4.735144 -0.771223
O -1.094517 2.597203 -1.568990
O -0.334338 -2.967920 1.042505
O -1.401542 -2.631935 -0.989628
O 4.486990 -1.308979 -1.825524
O 4.565921 -2.291146 0.280808
N -1.856403 3.339970 1.652757
N -3.697220 -1.538278 0.322589
N 1.980565 -3.311461 -0.006734
C -0.312123 1.480078 1.075553
C -1.428158 0.478071 0.609518
C -0.651921 2.975394 0.878445
C -1.848544 -0.544659 1.696156
C 1.052791 1.158385 0.446415
C 1.602457 -0.274678 0.529102
C -2.483491 -1.839283 1.099566
C 1.623123 -0.931049 -0.880506
C 2.434904 -2.259596 -0.975092
C -0.803825 3.345696 -0.609420
C -1.379418 -2.548784 0.274502
C 3.925733 -1.983971 -0.751926
H -0.193475 1.355151 2.173795
H -1.093928 -0.043937 -0.304930
H -2.318186 1.043924 0.280847
H 0.189020 3.579211 1.259560
H -2.587042 -0.083776 2.377328
H -0.977185 -0.849900 2.304734
H 2.637900 -0.190136 0.914969
H 1.016383 -0.887339 1.233317
H -2.751339 -2.495803 1.947190
H 0.596563 -1.157244 -1.216412
H 2.063818 -0.219787 -1.602148
H 2.302804 -2.637269 -2.003896
H -2.702374 2.825201 1.386007
H -2.016561 4.350779 1.704583
H -3.465946 -1.204433 -0.622571
H -4.334995 -2.339512 0.257619
H 2.046955 -4.249630 -0.427784
H 2.590568 -3.287609 0.830896
H -0.809462 4.968082 -1.728768
H 0.603242 -3.161607 0.495554
H 5.437069 -1.079301 -1.636068


