%chk=000203440.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203440

0 1
O -1.477357 -0.547425 1.088620
O -3.436363 1.594555 -0.555058
O -3.762289 -0.205856 0.834422
O -0.024906 2.136060 0.004393
O 1.182167 -1.571229 -0.756550
O 1.651166 -2.440097 1.311605
N 3.068788 1.884327 -0.179007
C -2.303183 1.582552 0.321686
C -0.701441 -0.240441 -0.108609
C -1.025503 1.232769 -0.480683
C -2.538114 0.381088 1.277925
C 0.775428 -0.544350 0.179834
C -4.175376 0.336730 -0.445061
C 1.082845 -1.134773 1.567429
C 1.369523 -2.829781 -0.051367
C -3.781238 -0.598960 -1.570168
C -5.645464 0.681333 -0.350597
C 0.868002 2.671893 -1.013831
C 0.093256 -3.651353 -0.108573
C 2.609914 -3.493540 -0.613774
C 2.138884 3.052946 -0.240372
C 4.014140 1.978007 0.981452
C 3.800561 1.666100 -1.471415
C 3.277913 1.684143 2.288433
C 4.052521 0.167536 -1.645150
H -2.261386 2.583788 0.787578
H -1.089639 -0.934448 -0.897355
H -1.190833 1.354093 -1.570542
H -2.636611 0.518929 2.365200
H 1.436810 0.328885 -0.063102
H 0.195681 -1.278301 2.208714
H 1.876673 -0.573011 2.102748
H -2.779438 -1.027786 -1.404255
H -3.770630 -0.077349 -2.534477
H -4.474739 -1.445901 -1.646017
H -6.208186 -0.140190 0.113995
H -6.081106 0.889765 -1.334286
H -5.798619 1.574166 0.273270
H 1.052302 1.919459 -1.799389
H 0.364749 3.556074 -1.441646
H 0.213660 -4.606605 0.414916
H -0.736583 -3.120828 0.383209
H -0.206774 -3.856328 -1.140615
H 2.895369 -4.364626 -0.011390
H 3.458319 -2.794286 -0.601394
H 2.458171 -3.816474 -1.649186
H 1.834461 3.321937 0.802278
H 2.593860 3.961862 -0.686060
H 4.813138 1.215072 0.836857
H 4.522362 2.964625 1.041124
H 3.181375 2.031911 -2.318913
H 4.757503 2.228198 -1.523845
H 2.481565 2.411523 2.486288
H 2.796049 0.688878 2.253145
H 3.965873 1.692378 3.139317
H 4.447247 -0.056556 -2.639804
H 3.119313 -0.410100 -1.512495
H 4.758389 -0.218985 -0.902248


%chk=000203440-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203440

0 1
O -1.212438 -0.003880 1.328623
O -3.414766 0.849072 -0.746354
O -3.532890 0.729679 1.621593
O 0.080938 1.981379 -0.627383
O 1.138512 -1.297218 -1.282039
O 1.810520 -2.914771 0.278818
N 3.089636 1.844079 0.022369
C -2.238386 1.559845 -0.206323
C -0.747508 -0.322376 -0.053469
C -0.966876 0.988560 -0.858147
C -2.173641 1.108554 1.277506
C 0.697951 -0.807804 0.062126
C -4.279416 0.381612 0.380297
C 0.861744 -2.035607 0.996516
C 1.514614 -2.739172 -1.154740
C -4.454795 -1.134732 0.262040
C -5.592379 1.166745 0.390768
C 1.179211 1.976301 -1.618453
C 0.336655 -3.625593 -1.598329
C 2.798093 -2.982951 -1.942780
C 2.369765 2.689629 -0.966884
C 3.509953 2.598337 1.234694
C 4.185709 1.067774 -0.621538
C 2.329971 2.909678 2.175322
C 4.691017 -0.119392 0.219126
H -2.329475 2.649419 -0.345365
H -1.386037 -1.121612 -0.484588
H -1.114743 0.788130 -1.935730
H -1.858299 1.851334 2.023325
H 1.363999 0.027394 0.346524
H -0.102409 -2.551003 1.173463
H 1.323753 -1.785136 1.961730
H -3.480260 -1.639824 0.359125
H -4.899749 -1.388876 -0.715614
H -5.119723 -1.500518 1.063077
H -6.189891 0.893776 1.277721
H -6.177008 0.940774 -0.517464
H -5.386392 2.249318 0.422554
H 1.441622 0.940505 -1.906715
H 0.845470 2.531731 -2.522235
H 0.616044 -4.691057 -1.525388
H -0.551615 -3.453444 -0.966345
H 0.066917 -3.397659 -2.643948
H 3.132475 -4.025847 -1.808145
H 3.587656 -2.304727 -1.583378
H 2.625290 -2.801116 -3.017147
H 1.977980 3.592071 -0.463884
H 3.057181 3.046203 -1.772874
H 4.240755 1.978290 1.783283
H 4.040920 3.546668 0.963038
H 3.782944 0.668718 -1.572130
H 5.047943 1.732105 -0.892663
H 1.557802 3.523888 1.679073
H 1.846347 1.971929 2.499745
H 2.684387 3.459090 3.067889
H 5.458560 -0.680681 -0.346563
H 3.862070 -0.808700 0.455787
H 5.156493 0.203115 1.167685


