%chk=000189686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000189686

0 1
O -0.796424 1.079271 1.399422
O -2.370545 2.478609 0.446421
O -5.260506 0.209425 0.739698
O 4.403809 -2.566144 0.056716
O 5.879472 -0.726451 0.330152
O -5.609836 -1.895146 -0.302386
N 0.046904 1.715737 -1.139068
C 0.419492 0.342747 -0.682697
C -0.397337 -0.060760 0.588122
C 1.902367 0.145021 -0.411135
C -1.697036 -0.754135 0.235793
C 0.760443 2.757618 -0.343358
C 2.771898 1.228534 -0.254156
C 2.291675 2.645606 -0.382776
C -2.776523 0.090266 0.654319
C -2.220922 1.355126 1.265167
C 2.365859 -1.197477 -0.324825
C 0.277521 1.877188 -2.606774
C -4.042765 -0.368268 0.436182
C -1.894070 -1.979856 -0.362694
C 4.159322 1.033199 0.003249
C 3.703370 -1.371869 -0.074001
C 4.592173 -0.265888 0.090062
C -4.247431 -1.647893 -0.191780
C -3.215403 -2.459029 -0.593384
C -6.286865 -0.731018 0.273343
C 5.794620 -2.190434 0.322986
H 0.122814 -0.374063 -1.501440
H 0.230746 -0.654316 1.291586
H 0.395172 2.656025 0.713496
H 0.434859 3.759031 -0.692564
H 2.720672 3.271517 0.427820
H 2.684789 3.074078 -1.329085
H -2.580760 1.651532 2.266394
H 1.694092 -2.040951 -0.452691
H 0.011713 2.904139 -2.903819
H -0.395131 1.196284 -3.152865
H 1.310333 1.682227 -2.932574
H -1.054146 -2.602704 -0.663188
H 4.834986 1.874473 0.127408
H -3.387310 -3.423652 -1.063062
H -1.902147 2.351231 -0.430181
H -6.853848 -0.238222 -0.527784
H -6.854369 -1.068867 1.150509
H 6.408624 -2.558282 -0.509297
H 6.054351 -2.547157 1.328342


%chk=000189686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000189686

0 1
O -0.801486 0.893596 1.621153
O -2.221008 2.382001 0.342785
O -5.299530 0.239957 0.736680
O 4.529623 -2.557639 0.058199
O 6.034784 -0.689100 0.112236
O -5.709679 -1.858518 -0.352820
N 0.006925 1.719975 -0.957678
C 0.428000 0.334475 -0.561590
C -0.398703 -0.192213 0.697259
C 1.943803 0.166137 -0.375203
C -1.716474 -0.843252 0.297513
C 0.805294 2.767598 -0.232784
C 2.836966 1.271181 -0.354177
C 2.311216 2.687999 -0.536880
C -2.776727 0.018424 0.687910
C -2.215535 1.300386 1.281763
C 2.440934 -1.166999 -0.235744
C 0.000573 1.908132 -2.436150
C -4.075523 -0.395759 0.415121
C -1.945462 -2.070762 -0.351603
C 4.239594 1.065811 -0.182264
C 3.810681 -1.339550 -0.062692
C 4.696277 -0.240813 -0.034429
C -4.313389 -1.632666 -0.228550
C -3.281247 -2.489430 -0.623540
C -6.345232 -0.582038 0.070631
C 5.923451 -2.148385 0.378502
H 0.127933 -0.327578 -1.397574
H 0.247032 -0.869857 1.282658
H 0.614950 2.611732 0.841947
H 0.393739 3.754369 -0.510125
H 2.851841 3.383956 0.132288
H 2.515154 3.033585 -1.571307
H -2.682353 1.649688 2.213838
H 1.770535 -2.031840 -0.272951
H -0.305648 2.944487 -2.662484
H -0.740058 1.224196 -2.885495
H 0.986721 1.718349 -2.909830
H -1.112463 -2.722024 -0.638748
H 4.931391 1.913100 -0.164712
H -3.497550 -3.444360 -1.108704
H -1.461539 2.137677 -0.340751
H -6.708002 -0.043873 -0.825433
H -7.143257 -0.801900 0.795987
H 6.616641 -2.687667 -0.284818
H 6.115510 -2.334285 1.452168


