%chk=000105959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105959

0 1
O 0.235359 -2.110319 -0.518869
O 3.404528 0.009574 0.005280
O -1.087878 -0.604832 2.251633
O 2.915913 -3.029200 -1.222755
N -2.908703 -1.303053 -0.201243
N 1.455953 2.627389 0.291091
C -3.145353 2.052743 -0.356007
C -1.932597 1.857112 0.557923
C -4.056694 0.814247 -0.342039
C -0.919884 3.004518 0.466506
C -3.360936 -0.369555 -0.970307
C 0.400591 2.530972 1.026907
C -2.186456 -2.461987 -0.754489
C 2.754633 2.134246 0.788532
C -0.859234 -2.113310 -1.448862
C 3.470694 1.413622 -0.362426
C 0.369913 -0.942489 0.325064
C 4.000957 -0.868501 -0.982476
C 0.032562 -1.349123 1.762089
C 3.813486 -2.276819 -0.406614
H -3.726573 2.937766 -0.031068
H -2.816035 2.271780 -1.390255
H -1.418286 0.897626 0.297846
H -2.259174 1.717822 1.608479
H -4.996983 1.024300 -0.889196
H -4.361891 0.584374 0.702562
H -1.269599 3.890641 1.031724
H -0.803012 3.347169 -0.583589
H -3.279869 -0.320373 -2.066204
H 0.336347 2.104145 2.041442
H -1.965206 -3.128920 0.117071
H -2.829955 -3.056836 -1.439170
H 3.355677 3.012290 1.119032
H 2.691091 1.443459 1.662767
H -0.550049 -2.921292 -2.142724
H -0.897482 -1.153867 -1.991170
H 2.967664 1.560517 -1.335749
H 4.530585 1.707588 -0.437884
H 1.439257 -0.654836 0.199775
H -0.272322 -0.103328 -0.016441
H 3.472664 -0.754145 -1.946139
H 5.062864 -0.599415 -1.104328
H -0.172809 -2.433378 1.830387
H 0.838198 -1.078692 2.469740
H 4.747842 -2.867197 -0.448512
H 3.444215 -2.233653 0.635794
H -1.919018 -0.893966 1.792274
H 1.977105 -2.725313 -1.075602


%chk=000105959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105959

0 1
O 0.224837 -2.362533 0.018453
O 3.175308 0.061050 -0.279839
O -1.940321 -1.114841 2.134364
O 2.597150 -2.937417 -1.152536
N -2.705948 -1.301098 -0.420044
N 1.454524 2.758255 -0.102395
C -3.274806 2.027202 -0.134026
C -1.813083 1.826527 0.320501
C -4.092611 0.694344 -0.049407
C -0.948878 3.114650 0.306860
C -3.461829 -0.366687 -0.918376
C 0.461745 2.773858 0.737028
C -1.934342 -2.198817 -1.298619
C 2.805064 2.407323 0.394043
C -0.420022 -1.889767 -1.216301
C 3.546669 1.458696 -0.554046
C 0.365090 -1.417376 1.165830
C 3.998044 -0.855016 -1.094002
C -0.625357 -1.707918 2.303686
C 3.802823 -2.305687 -0.641787
H -3.776837 2.776926 0.508469
H -3.301439 2.424748 -1.169288
H -1.324283 1.095695 -0.351029
H -1.804825 1.362105 1.326144
H -5.133013 0.880741 -0.377667
H -4.108371 0.345655 0.998451
H -1.382605 3.865047 0.998684
H -0.918954 3.552808 -0.707248
H -3.598020 -0.264884 -2.018031
H 0.581056 2.487307 1.809463
H -2.089728 -3.243305 -0.972725
H -2.242307 -2.108922 -2.366077
H 3.385263 3.352477 0.421043
H 2.811503 1.976559 1.422429
H 0.090424 -2.442670 -2.025659
H -0.228288 -0.807003 -1.356843
H 3.306364 1.728483 -1.604738
H 4.644720 1.572100 -0.404205
H 1.401855 -1.568194 1.519020
H 0.274964 -0.376128 0.803986
H 3.728867 -0.761039 -2.168090
H 5.072028 -0.577364 -0.973337
H -0.682285 -2.811552 2.438105
H -0.210033 -1.277149 3.236108
H 4.644009 -2.898225 -1.049200
H 3.863324 -2.345221 0.467868
H -2.286408 -1.285312 1.178449
H 1.791060 -2.728931 -0.583669


