%chk=000207763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207763

0 1
O -3.233461 -0.311579 -2.128818
O 0.502245 2.281387 2.165850
O 5.236208 0.841517 0.684224
O 2.193687 -1.043455 -2.645731
O 4.849355 -0.688110 -1.635570
N -3.631312 0.981739 -0.228092
N -0.807947 1.975063 0.252830
N -1.884104 -4.891273 2.208074
C -2.021002 2.560666 0.848812
C -2.589379 3.708680 -0.023865
C -3.104120 1.460966 1.068953
C -3.194615 3.181247 -1.348264
C -4.217169 2.054169 -1.069676
C -3.236483 -0.213991 -0.853644
C 0.373571 1.832765 0.968980
C -2.872931 -1.384692 0.006895
C 1.511168 1.146564 0.256238
C -1.901887 -2.301830 -0.476935
C -3.531266 -1.689274 1.228858
C 1.339525 0.321066 -0.876870
C 2.804448 1.328439 0.802757
C -1.564565 -3.455464 0.246842
C -3.216978 -2.850072 1.955610
C 3.922940 0.723226 0.197912
C 2.457802 -0.288902 -1.490962
C -2.213576 -3.748022 1.484114
C 3.769907 -0.066264 -0.985601
C 5.424071 1.602186 1.925012
C 2.774530 -2.400614 -2.736644
C 5.952624 0.190903 -2.086290
H -1.708661 2.949253 1.835218
H -3.382306 4.221523 0.558183
H -1.796075 4.453054 -0.218800
H -3.933355 1.891055 1.667535
H -2.660973 0.626198 1.629944
H -3.692559 4.004775 -1.894043
H -2.403736 2.791150 -2.018119
H -4.557160 1.594313 -2.010688
H -5.092425 2.469557 -0.528908
H -0.850364 1.654052 -0.715375
H -1.427594 -2.097442 -1.443255
H -4.327630 -1.031080 1.595085
H 0.358634 0.088599 -1.304093
H 2.883787 1.934013 1.709642
H -0.802015 -4.142311 -0.140229
H -3.750617 -3.073761 2.887437
H -2.340009 -5.099531 3.091614
H -1.172598 -5.533617 1.871917
H 5.122753 2.659460 1.797746
H 4.851163 1.151828 2.757249
H 6.501863 1.542260 2.136156
H 3.868373 -2.354402 -2.855472
H 2.523813 -2.988240 -1.832192
H 2.297077 -2.850178 -3.620885
H 5.564640 0.970462 -2.768768
H 6.457132 0.652999 -1.222483
H 6.641354 -0.475126 -2.628216


%chk=000207763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207763

0 1
O -3.275878 0.094620 -2.340632
O 0.687997 2.872350 1.979592
O 5.323844 1.612795 0.021764
O 2.277679 -1.920433 -1.419538
O 4.904225 -0.817882 -1.309135
N -3.588121 1.102567 -0.260365
N -0.794885 1.635476 0.689061
N -2.347144 -5.220139 1.185159
C -1.996324 2.255917 1.277919
C -2.347776 3.611574 0.606035
C -3.183319 1.263436 1.155174
C -2.827702 3.410854 -0.850126
C -3.975576 2.375938 -0.918476
C -3.300973 -0.011359 -1.068251
C 0.481451 1.964779 1.106693
C -3.044289 -1.333606 -0.405547
C 1.611234 1.200090 0.466395
C -2.055435 -2.186143 -0.966289
C -3.817556 -1.827184 0.679427
C 1.438844 -0.052026 -0.166055
C 2.902201 1.774303 0.550748
C -1.810343 -3.463395 -0.438279
C -3.600602 -3.113843 1.201964
C 4.008615 1.121486 -0.027686
C 2.543452 -0.710360 -0.752064
C -2.579786 -3.951162 0.660567
C 3.837719 -0.118763 -0.720271
C 5.548358 2.849074 0.780242
C 3.071625 -3.099956 -1.009179
C 5.682165 -0.098475 -2.344100
H -1.773922 2.434099 2.346357
H -3.150177 4.094251 1.201667
H -1.465370 4.273669 0.651959
H -4.038555 1.663085 1.735949
H -2.896982 0.289427 1.577571
H -3.174737 4.371410 -1.275442
H -1.990454 3.059736 -1.482618
H -4.235620 2.143968 -1.963097
H -4.872575 2.770983 -0.398169
H -0.921491 0.992936 -0.095194
H -1.490432 -1.835582 -1.837003
H -4.626700 -1.213979 1.093226
H 0.477225 -0.574379 -0.198149
H 2.996670 2.719142 1.093055
H -1.027973 -4.093524 -0.878337
H -4.224339 -3.482215 2.025561
H -2.898245 -5.573487 1.961901
H -1.634599 -5.825044 0.787387
H 5.001277 3.700584 0.332542
H 5.243417 2.727215 1.836564
H 6.632078 3.027321 0.721112
H 4.149191 -2.914557 -1.146526
H 2.858116 -3.350790 0.048241
H 2.730260 -3.915433 -1.665355
H 5.016647 0.216939 -3.169441
H 6.193647 0.774080 -1.906542
H 6.413744 -0.834485 -2.710766


