%chk=000249002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249002

0 1
O -1.567030 1.315553 0.760540
O 1.567555 1.313990 -0.769761
O -0.562245 -0.559701 1.591433
O 0.565034 -0.569679 -1.584245
N -2.712990 -0.670857 0.669076
N 2.717361 -0.669474 -0.664251
C -0.001544 2.985958 -0.009796
C -2.247157 -2.591938 -1.860142
C -2.522453 -1.133201 -2.250168
C 2.255898 -2.568238 1.881752
C 2.527361 -1.105230 2.258259
C -1.734858 -2.741071 -0.425486
C -3.821817 -0.595936 -1.640631
C 1.743762 -2.732078 0.448646
C 3.825934 -0.570531 1.644828
C -2.683179 -2.163862 0.633754
C -3.664279 0.024830 -0.242888
C 2.690313 -2.162184 -0.616107
C 3.668822 0.035308 0.240463
C -0.412247 2.101449 1.189692
C 0.410928 2.094560 -1.203577
C 1.181127 3.861669 0.427808
C -1.185932 3.856504 -0.453014
C -1.509600 -0.050986 1.016054
C 1.512245 -0.054630 -1.014318
H -1.485678 -3.007541 -2.551978
H -3.157012 -3.203996 -2.005853
H -2.575588 -1.056696 -3.353080
H -1.653772 -0.503319 -1.954398
H 1.495586 -2.979414 2.577529
H 3.167386 -3.176506 2.032983
H 2.579453 -1.018305 3.360467
H 1.657368 -0.480240 1.956061
H -1.556532 -3.810595 -0.204496
H -0.730703 -2.246777 -0.337022
H -4.575084 -1.407730 -1.604303
H -4.252346 0.173785 -2.311868
H 1.568300 -3.804093 0.237644
H 0.738230 -2.241381 0.355827
H 4.253346 0.207268 2.308708
H 4.581510 -1.380553 1.617909
H -3.722758 -2.520789 0.474166
H -2.363528 -2.506416 1.646929
H -3.358762 1.093922 -0.340674
H -4.651050 0.024756 0.276894
H 2.370676 -2.513981 -1.626105
H 3.730647 -2.515819 -0.454074
H 4.655682 0.029211 -0.279120
H 3.363849 1.105553 0.326653
H 0.410977 1.431086 1.507509
H -0.781831 2.688294 2.045393
H -0.410881 1.420390 -1.516915
H 0.779174 2.676692 -2.063072
H 0.952759 4.444809 1.325013
H 1.463417 4.570602 -0.358611
H 2.067250 3.246724 0.636747
H -1.469585 4.569960 0.328813
H -0.958735 4.434273 -1.353982
H -2.070869 3.238504 -0.657918


%chk=000249002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249002

0 1
O -1.659186 1.472026 0.656132
O 1.655278 1.474304 -0.671258
O -0.649906 -0.436205 1.610366
O 0.632949 -0.442034 -1.595168
N -2.619568 -0.601149 0.339776
N 2.612500 -0.597409 -0.338467
C -0.003614 3.194286 -0.007572
C -2.591045 -2.860906 -1.957397
C -2.982582 -1.468222 -2.514074
C 2.611601 -2.830227 1.986479
C 3.014154 -1.432513 2.522117
C -1.884080 -2.830160 -0.584128
C -4.116039 -0.783497 -1.704822
C 1.884540 -2.812501 0.623589
C 4.136088 -0.758176 1.688395
C -2.654211 -2.071802 0.525594
C -3.639643 0.068146 -0.504133
C 2.641531 -2.070337 -0.506007
C 3.643128 0.080675 0.485338
C -0.540181 2.310328 1.143343
C 0.534583 2.310643 -1.158086
C 1.127131 4.083755 0.571245
C -1.135743 4.081685 -0.586863
C -1.573645 0.081397 0.916456
C 1.563715 0.081016 -0.914932
H -1.919952 -3.362197 -2.682784
H -3.507926 -3.485598 -1.892378
H -3.320964 -1.594453 -3.561385
H -2.085104 -0.818521 -2.542069
H 1.950191 -3.322102 2.727036
H 3.526118 -3.457598 1.914773
H 3.368216 -1.548002 3.565466
H 2.118346 -0.780732 2.556911
H -1.714021 -3.870458 -0.238373
H -0.892953 -2.353174 -0.694922
H -4.838341 -1.555432 -1.371369
H -4.689241 -0.096390 -2.358819
H 1.705335 -3.856055 0.292623
H 0.896941 -2.330237 0.743607
H 4.719588 -0.064363 2.326012
H 4.852689 -1.534599 1.353039
H -3.712935 -2.392088 0.563389
H -2.195791 -2.289725 1.505327
H -3.192017 1.004558 -0.871786
H -4.515689 0.348521 0.118188
H 2.169430 -2.299309 -1.476660
H 3.698850 -2.393910 -0.554146
H 4.510809 0.355141 -0.151170
H 3.200053 1.020707 0.849378
H 0.247107 1.651688 1.550437
H -0.946854 2.944490 1.952720
H -0.251720 1.650591 -1.564716
H 0.940866 2.945030 -1.967411
H 0.756364 4.697211 1.413885
H 1.510683 4.772229 -0.204482
H 1.973252 3.470897 0.928602
H -1.520245 4.770084 0.188466
H -0.765927 4.695197 -1.429897
H -1.981009 3.467376 -0.943717


