%chk=000179344.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179344

0 1
O 0.872316 -1.385097 -1.032550
O -0.870251 -2.053747 1.862374
O 3.048409 -1.693864 -1.562999
N -0.397457 0.066928 1.031474
N 1.246820 -1.272097 2.210155
C 0.868416 -0.042359 -1.612616
C -0.563312 0.156416 -2.115674
C 1.281169 0.965404 -0.573027
C -1.704303 0.206039 -1.135274
C 0.637852 1.017590 0.676314
C -1.632542 0.117731 0.266833
C 2.299158 1.887707 -0.850268
C -2.984266 0.337287 -1.718248
C 0.987885 1.989917 1.627669
C -2.807865 0.110335 1.049880
C 2.655605 2.852722 0.095187
C -0.063188 -1.154348 1.697753
C 1.996614 2.907163 1.328301
C -4.142032 0.348563 -0.946555
C -4.055021 0.223219 0.445893
C 2.043710 -2.117005 -1.042098
C 1.787189 -3.409695 -0.356066
H 1.585723 -0.051536 -2.471965
H -0.776599 -0.677427 -2.829297
H -0.577894 1.093250 -2.719853
H 2.823890 1.847120 -1.806351
H -3.069978 0.420821 -2.801643
H 0.462119 2.033442 2.581365
H -2.727982 -0.002133 2.132718
H 3.449023 3.564585 -0.129643
H 2.269791 3.668966 2.058518
H -5.115441 0.446473 -1.424084
H -4.958899 0.212286 1.052467
H 1.386874 -1.980565 2.918968
H 1.868372 -0.481302 2.272116
H 1.853916 -4.252928 -1.059417
H 0.782956 -3.441100 0.111969
H 2.525226 -3.580460 0.442777


%chk=000179344-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179344

0 1
O 0.887954 -1.502791 -1.091277
O -1.087109 -1.890225 2.198848
O 3.200848 -1.541581 -1.403072
N -0.425674 0.026783 0.984917
N 1.088681 -1.111904 2.416976
C 0.849334 -0.097561 -1.618819
C -0.580401 0.135388 -2.127289
C 1.290611 0.909919 -0.574041
C -1.751817 0.207023 -1.142706
C 0.619466 0.976760 0.674926
C -1.684684 0.121729 0.276584
C 2.327006 1.831224 -0.848983
C -3.035825 0.358100 -1.734158
C 0.974663 1.965169 1.622808
C -2.874332 0.150329 1.049797
C 2.688603 2.815022 0.098002
C -0.198036 -1.044809 1.888070
C 2.009180 2.883685 1.336787
C -4.216792 0.390740 -0.969497
C -4.134440 0.274574 0.437660
C 2.149167 -2.112413 -1.033297
C 2.021272 -3.519452 -0.495266
H 1.548592 -0.053522 -2.474748
H -0.800411 -0.665711 -2.859584
H -0.554750 1.082503 -2.704338
H 2.864777 1.762294 -1.801228
H -3.100772 0.433792 -2.827393
H 0.428971 2.008715 2.571282
H -2.792098 0.057554 2.135502
H 3.497148 3.519020 -0.125427
H 2.279006 3.648902 2.072598
H -5.188603 0.499091 -1.463152
H -5.041251 0.287622 1.051646
H 1.258124 -1.846335 3.099186
H 1.835361 -0.468412 2.164191
H 1.514498 -4.159251 -1.239935
H 1.400051 -3.523485 0.415510
H 3.019682 -3.930184 -0.285974


