%chk=000184959.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184959

0 1
O 0.215162 -1.484978 -0.224021
O -2.867862 -1.673705 -0.148258
O -3.055688 -0.152533 1.473873
O 0.257190 -4.450747 -1.835990
O 2.142691 -0.373933 -0.315801
O 1.475054 -3.438888 1.407228
O 2.738460 -3.177423 -2.020785
O -3.248885 0.539137 -2.168938
O -5.521820 2.078097 -0.906771
O -4.585618 3.122453 1.650793
N -0.342669 1.777048 -1.293945
C -0.663824 -2.578196 -0.592196
C 0.084266 -3.929990 -0.506696
C 1.531571 -3.770792 0.029071
C 2.312851 -2.694276 -0.757366
C 1.450664 -1.424620 -0.985638
C -1.814013 -2.474455 0.422045
C -2.720400 -0.270177 0.070128
C -3.773076 0.384612 -0.853357
C -4.242229 1.762823 -0.336814
C -4.504377 1.769839 1.184369
C -3.300359 1.181217 1.936669
C 2.120970 0.933360 -0.944398
C 2.877251 1.825762 0.014850
C 0.738528 1.407986 -1.132355
C 3.743140 2.805276 -0.491745
C 2.711552 1.669718 1.397152
C 4.436294 3.634743 0.393240
C 3.413896 2.499747 2.275788
C 4.272861 3.482789 1.775139
H -1.029990 -2.389709 -1.629456
H -0.464819 -4.675820 0.109346
H 2.071479 -4.748058 0.003683
H 3.267323 -2.428458 -0.234138
H 1.231115 -1.215398 -2.047502
H -1.479173 -2.054232 1.390310
H -2.322466 -3.442530 0.590501
H -1.676686 0.065674 -0.083353
H -4.638485 -0.309856 -1.009127
H -3.524102 2.566227 -0.624214
H -5.456270 1.242444 1.419626
H -3.515305 1.032329 3.012088
H -2.396743 1.805429 1.821600
H -0.578045 -4.828316 -2.179184
H 1.111996 -2.515888 1.521317
H 2.009607 -3.690050 -2.470187
H 2.631717 0.842030 -1.939149
H -2.447425 1.118774 -2.170785
H -5.479833 1.998591 -1.887822
H -5.323050 3.584282 1.186153
H 3.879045 2.925635 -1.565268
H 2.044523 0.892662 1.777069
H 5.107570 4.400407 0.005784
H 3.289914 2.378675 3.351627
H 4.817322 4.131163 2.461209


%chk=000184959-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000184959

0 1
O 0.081944 -1.475921 -0.270554
O -2.889083 -1.534719 -0.906775
O -3.653070 -0.897093 1.215708
O 0.945871 -4.213271 -2.060654
O 2.094964 -0.253972 -0.086130
O 0.557285 -3.516719 1.569752
O 3.273432 -3.162069 -1.008490
O -3.252090 1.274242 -1.886947
O -4.907952 2.853169 -0.186497
O -4.750231 2.353515 2.672576
N -0.492468 1.661848 -1.401818
C -0.627834 -2.572773 -0.992832
C 0.165804 -3.909289 -0.834652
C 1.221406 -3.779516 0.292525
C 2.259515 -2.679998 -0.073250
C 1.521623 -1.443773 -0.657226
C -2.055547 -2.651006 -0.438672
C -2.961346 -0.418107 -0.010016
C -3.808195 0.691943 -0.666483
C -4.029671 1.820288 0.366401
C -4.675328 1.302210 1.654959
C -3.805111 0.169177 2.225825
C 2.041466 0.962042 -0.951726
C 2.895313 2.033416 -0.293473
C 0.640923 1.384267 -1.187446
C 4.297699 1.983797 -0.486811
C 2.333292 3.035017 0.533295
C 5.132731 2.930455 0.142946
C 3.170069 3.984004 1.160375
C 4.569497 3.933794 0.966481
H -0.673594 -2.303989 -2.069384
H -0.516658 -4.747936 -0.598144
H 1.749644 -4.737064 0.422894
H 2.798738 -2.379054 0.839944
H 1.586688 -1.443502 -1.769892
H -2.061113 -2.711807 0.665230
H -2.542376 -3.557343 -0.841872
H -1.947579 -0.058272 0.280071
H -4.775233 0.251405 -0.965702
H -3.039880 2.267260 0.621407
H -5.686877 0.916091 1.409042
H -4.287207 -0.308381 3.091830
H -2.816870 0.573302 2.532721
H 0.369953 -4.608003 -2.759272
H 0.231176 -2.575764 1.541383
H 2.787376 -3.679316 -1.711166
H 2.470280 0.690726 -1.940953
H -2.280864 1.490468 -1.754122
H -4.623050 2.988448 -1.130092
H -5.175710 3.140938 2.244174
H 4.734525 1.198930 -1.115560
H 1.248967 3.077087 0.688158
H 6.216531 2.886940 -0.007093
H 2.731829 4.758624 1.798360
H 5.217198 4.671155 1.453048


