%chk=000289996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289996

0 1
O 0.282714 -1.620119 -1.732743
O -1.626750 2.452596 -0.633132
O 5.141854 -2.585210 -1.092337
O 4.187213 -2.471186 0.957539
N 0.209593 1.357779 0.133874
N -3.386362 -3.414054 0.541208
C -0.418885 0.046411 -0.163241
C 1.997097 -0.947026 -0.189996
C 2.522459 0.484719 -0.011714
C 1.534499 1.332770 0.801194
C 0.597422 -0.912596 -0.807387
C -1.024282 -0.589228 1.109676
C 2.944524 -1.796169 -1.044594
C -2.122899 -1.527536 0.771462
C -0.503297 2.528817 -0.161677
C -3.392267 -1.148106 0.192977
C 4.102244 -2.307152 -0.237900
C -2.142049 -2.901214 0.964077
C -4.165603 -2.349343 0.058969
C 0.179407 3.831918 0.126314
C -3.944407 0.075719 -0.232608
C -5.471739 -2.342114 -0.473487
C 0.995691 4.416424 -0.849876
C -0.054045 4.481130 1.344772
C -5.225717 0.077798 -0.754820
C -5.981498 -1.119427 -0.871488
C 6.362657 -3.167708 -0.532606
C 1.590436 5.656032 -0.597299
C 0.545082 5.720146 1.590011
C 1.367201 6.305902 0.621365
C 6.149272 -4.640887 -0.256699
H -1.253350 0.221673 -0.914578
H 1.902035 -1.429822 0.822996
H 3.504958 0.461045 0.501692
H 2.705267 0.953335 -0.999448
H 1.929228 2.366904 0.919023
H 1.419038 0.917468 1.829163
H -1.433933 0.221715 1.756247
H -0.244454 -1.084669 1.719445
H 3.300185 -1.238759 -1.938809
H 2.389914 -2.664974 -1.483134
H -1.379288 -3.543583 1.364843
H -3.649399 -4.378285 0.550056
H -3.357763 0.996784 -0.159447
H -6.042385 -3.258577 -0.566522
H 1.156921 3.912514 -1.802959
H -0.706791 4.028830 2.091299
H -5.672688 1.010760 -1.092886
H -6.985374 -1.060933 -1.290276
H 6.638522 -2.599852 0.373487
H 7.077290 -2.975478 -1.353876
H 2.223259 6.118366 -1.353803
H 0.365345 6.232144 2.534529
H 1.830184 7.273184 0.814303
H 5.735800 -5.159709 -1.131431
H 5.444513 -4.792801 0.574669
H 7.088002 -5.138867 0.013581


%chk=000289996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289996

0 1
O 0.154741 -1.578918 -1.678226
O -1.719267 2.582748 -0.025550
O 5.081575 -2.760467 -1.279977
O 4.197372 -2.423885 0.853078
N 0.315547 1.476365 0.215461
N -3.183728 -3.469334 0.547544
C -0.373140 0.202949 -0.124380
C 2.015206 -0.890301 -0.242883
C 2.599571 0.518313 0.045718
C 1.625059 1.350973 0.896068
C 0.579946 -0.800947 -0.784248
C -1.060427 -0.440627 1.148142
C 2.913120 -1.749507 -1.149717
C -2.091384 -1.479034 0.807870
C -0.460103 2.638355 0.177902
C -3.390247 -1.219797 0.205161
C 4.096823 -2.326431 -0.395157
C -2.005571 -2.857753 0.999093
C -4.053233 -2.487506 0.052990
C 0.222029 3.973455 0.331623
C -4.049120 -0.033520 -0.217808
C -5.347497 -2.601899 -0.500750
C 1.419831 4.297974 -0.357755
C -0.432115 4.973468 1.094954
C -5.340205 -0.143818 -0.770065
C -5.981897 -1.410893 -0.909983
C 6.279567 -3.430711 -0.679606
C 1.965080 5.597305 -0.265300
C 0.123107 6.266212 1.201762
C 1.324773 6.581086 0.523826
C 6.010034 -4.921121 -0.457224
H -1.176011 0.439452 -0.841421
H 1.942080 -1.408573 0.740961
H 3.558164 0.407364 0.585564
H 2.803197 1.042482 -0.908717
H 2.027582 2.353868 1.097405
H 1.479397 0.854591 1.879513
H -1.540392 0.406290 1.674780
H -0.290009 -0.858927 1.823492
H 3.276572 -1.181029 -2.024201
H 2.315901 -2.584948 -1.566234
H -1.193349 -3.448237 1.420368
H -3.372518 -4.468568 0.566456
H -3.558997 0.942734 -0.122860
H -5.844201 -3.572426 -0.612820
H 1.902857 3.547781 -0.994758
H -1.380648 4.726846 1.583101
H -5.864358 0.758724 -1.103722
H -6.986366 -1.459354 -1.345880
H 6.528606 -2.920579 0.267507
H 7.070719 -3.258986 -1.426596
H 2.880758 5.843876 -0.813954
H -0.383878 7.029332 1.802230
H 1.750868 7.587731 0.598960
H 5.702475 -5.410210 -1.397469
H 5.220574 -5.068231 0.298800
H 6.930132 -5.416236 -0.095068


