%chk=000197426.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000197426

0 1
O -2.622385 -0.458387 0.660496
O -3.153550 3.012515 -0.193563
O 0.763673 -0.302540 2.358766
O -2.421066 0.273901 -2.321959
O -4.013008 -1.213054 -0.962270
O 2.623094 -2.356426 1.734711
O 4.865220 -1.228954 0.270289
O 5.621604 0.310529 -1.598358
N -0.124553 0.976271 -0.430232
C -1.258531 1.562603 0.330088
C -2.254480 2.041313 -0.763388
C 1.155152 0.790652 0.301118
C -1.927019 0.602288 1.348466
C 1.283522 -0.567663 1.041714
C -3.189524 0.942095 -1.312989
C 2.745891 -1.027122 1.201415
C -3.676680 -0.038968 -0.221874
C 3.500670 -1.075178 -0.144347
C 2.230067 0.988749 -0.746128
C 3.274544 0.179900 -0.953729
C -2.851541 1.335281 2.309353
C 4.262694 0.448533 -2.057241
C -4.316768 -2.376525 -0.157972
H -0.890970 2.460044 0.893124
H -1.699782 2.501873 -1.617159
H 1.266760 1.600418 1.080249
H -1.159386 0.001972 1.907382
H -0.425059 0.119198 -0.916897
H 0.669419 -1.373660 0.578892
H -4.063368 1.406712 -1.831224
H 3.300330 -0.399961 1.938016
H -4.534785 0.322356 0.373593
H 3.215554 -1.978587 -0.735528
H 2.062935 1.879463 -1.362859
H -2.284145 1.869159 3.079553
H -3.515772 0.630080 2.823651
H -3.484318 2.076061 1.795471
H -2.732989 3.893282 -0.167385
H 4.197243 -0.313387 -2.861704
H 4.148898 1.454435 -2.503514
H 0.892222 -1.102571 2.926507
H -2.601977 -0.704280 -2.292916
H 3.522620 -2.746836 1.846640
H 5.483725 -1.171816 -0.518079
H -3.461744 -2.624929 0.480799
H -5.216390 -2.192367 0.434982
H -4.487932 -3.147750 -0.917446
H 5.776579 0.905673 -0.826515


%chk=000197426-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000197426

0 1
O -2.697479 -0.611755 0.484039
O -3.268007 2.937197 0.009381
O 0.916797 -0.107474 2.516694
O -2.171726 0.304336 -2.294694
O -4.238138 -1.056361 -1.225074
O 3.072393 -1.825865 2.302714
O 4.960772 -1.506681 0.135603
O 5.620097 0.447708 -1.672895
N -0.110520 0.937425 -0.338417
C -1.263951 1.439031 0.422354
C -2.251634 2.065191 -0.614531
C 1.222061 0.800133 0.253770
C -1.964601 0.374549 1.331755
C 1.463087 -0.424615 1.188354
C -3.073509 1.004333 -1.370001
C 2.957169 -0.743941 1.317700
C -3.702854 -0.006203 -0.391148
C 3.537715 -1.160963 -0.040287
C 2.246446 0.827131 -0.880357
C 3.283936 -0.041518 -1.046227
C -2.857259 0.953318 2.447373
C 4.258387 0.079361 -2.194416
C -4.888726 -2.145960 -0.481025
H -0.899680 2.250426 1.089289
H -1.644440 2.629100 -1.349780
H 1.392674 1.696908 0.891184
H -1.173601 -0.232569 1.798220
H -0.369448 0.273222 -1.077902
H 0.948253 -1.317659 0.769858
H -3.884225 1.511266 -1.929638
H 3.510020 0.151416 1.678236
H -4.502264 0.472358 0.215032
H 3.046346 -2.099404 -0.369937
H 2.063222 1.612846 -1.626857
H -2.224985 1.500229 3.171796
H -3.348776 0.126768 2.991187
H -3.626212 1.646165 2.067535
H -2.807121 3.690431 0.455760
H 4.437450 -0.886223 -2.695133
H 3.924158 0.823872 -2.940681
H 1.279270 -0.793309 3.138842
H -2.616085 -0.564173 -2.494864
H 4.005909 -2.160517 2.259900
H 5.520070 -0.816907 -0.333615
H -4.157432 -2.671179 0.156074
H -5.711969 -1.748191 0.146158
H -5.298197 -2.824841 -1.244551
H 5.581300 1.375985 -1.326779


