%chk=000279593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279593

0 1
O 2.852572 -2.577983 1.425562
O -1.848789 0.172582 -2.978224
O -5.046702 -0.741065 2.272518
N -0.614156 -0.214869 -1.096067
N 1.008966 2.163813 -0.844041
C 0.660776 -0.223356 -0.414942
C 1.468681 0.969154 -0.297828
C 2.710891 0.891289 0.399705
C -1.784606 -0.338657 -0.249286
C 1.086945 -1.410810 0.149174
C 2.331621 -1.453182 0.836114
C 3.141142 -0.333533 0.962238
C -0.741060 0.098123 -2.485328
C 3.486080 2.097212 0.518177
C -2.896272 -1.069570 -0.704917
C -1.795414 0.265555 1.025088
C 3.015384 3.263141 -0.018238
C 1.749399 3.253199 -0.702381
C -4.013066 -1.220213 0.118009
C -2.898751 0.111954 1.857216
C 0.525544 0.218930 -3.273793
C -3.995737 -0.632065 1.389743
C 2.071718 -3.798742 1.390323
H 0.467427 -2.303435 0.070661
H 4.087764 -0.398790 1.494212
H 4.440888 2.053401 1.042767
H -2.898056 -1.496886 -1.711056
H -0.945042 0.862800 1.358426
H 3.568937 4.197000 0.056008
H 1.358975 4.182839 -1.136104
H -4.877729 -1.775361 -0.232285
H -2.934800 0.561757 2.847350
H 1.320193 -0.466949 -2.957257
H 0.925879 1.245419 -3.201448
H 0.322839 0.032547 -4.340342
H 2.722217 -4.491266 1.942042
H 1.931897 -4.131439 0.357993
H 1.119873 -3.658109 1.911076
H -5.805328 -1.239036 1.883136


%chk=000279593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279593

0 1
O 2.852973 -2.616532 1.433879
O -1.841110 0.173867 -3.059338
O -5.101726 -0.775056 2.328018
N -0.604285 -0.160833 -1.098732
N 0.990382 2.205264 -0.828587
C 0.677141 -0.180340 -0.431659
C 1.469377 1.015635 -0.300517
C 2.739520 0.925282 0.400278
C -1.778257 -0.320110 -0.263788
C 1.115029 -1.382655 0.140263
C 2.358397 -1.449232 0.841581
C 3.166593 -0.309655 0.961683
C -0.715360 0.075188 -2.493034
C 3.513029 2.131871 0.511227
C -2.895399 -1.076019 -0.697211
C -1.802372 0.273842 1.024573
C 3.021690 3.319204 -0.028388
C 1.746999 3.308873 -0.686147
C -4.013717 -1.235864 0.146740
C -2.910694 0.106030 1.875127
C 0.582779 0.164101 -3.284233
C -4.020789 -0.649182 1.434795
C 2.027857 -3.828512 1.369991
H 0.475169 -2.263628 0.037620
H 4.117140 -0.383603 1.499763
H 4.480586 2.102775 1.025311
H -2.901345 -1.515940 -1.695729
H -0.955861 0.882842 1.355744
H 3.586047 4.254146 0.043225
H 1.335915 4.234129 -1.107043
H -4.876906 -1.816603 -0.204127
H -2.938135 0.563901 2.868031
H 1.353134 -0.542177 -2.930300
H 0.992008 1.186183 -3.202775
H 0.347092 -0.037991 -4.340162
H 2.602229 -4.590611 1.915990
H 1.874716 -4.156995 0.324041
H 1.048843 -3.674790 1.862557
H -5.837591 -1.291408 1.915335


