%chk=000188860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188860

0 1
O 0.284589 -1.382596 0.022207
O -6.061330 -0.853822 -0.297439
O 0.412579 -1.356261 2.303243
C -0.680686 0.828581 -0.041076
C 1.793814 0.500494 -0.114637
C -0.460792 2.233856 0.088609
C 0.470421 0.013009 -0.043412
C 1.959683 1.911371 0.017393
C -2.052687 0.339566 -0.150498
C 2.982895 -0.329920 -0.303089
C 0.839904 2.747938 0.125150
C -3.131298 1.244306 0.054214
C 4.265776 0.258889 -0.169848
C -1.595336 3.129341 0.248317
C 3.294116 2.477658 0.101352
C -2.860732 2.656871 0.269225
C 4.390391 1.687325 0.049540
C -2.365614 -0.993959 -0.505258
C 2.915665 -1.699017 -0.665810
C -4.463439 0.794778 0.004181
C 5.431181 -0.537429 -0.296678
C -3.673336 -1.449336 -0.571388
C -4.718854 -0.545407 -0.292430
C 4.062677 -2.461808 -0.802441
C 5.332485 -1.883952 -0.597287
C 0.274746 -1.986441 1.294184
C 0.070519 -3.444779 1.083788
C -6.444167 -2.215444 -0.605144
H 0.987347 3.821121 0.251539
H -1.383335 4.192235 0.369424
H 3.376662 3.557161 0.226586
H -3.714649 3.316882 0.424299
H 5.394312 2.100389 0.148341
H -1.556189 -1.685984 -0.759173
H 1.942839 -2.153527 -0.867866
H -5.293046 1.474728 0.184866
H 6.407803 -0.074523 -0.161343
H -3.879787 -2.478201 -0.844496
H 3.992848 -3.512742 -1.077500
H 6.225690 -2.498687 -0.690359
H -0.026185 -3.717178 0.021140
H -0.839566 -3.786514 1.603772
H 0.916759 -4.016265 1.500405
H -6.034499 -2.903846 0.139162
H -6.135265 -2.477319 -1.620995
H -7.538507 -2.161644 -0.529471


%chk=000188860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188860

0 1
O 0.294357 -1.439347 0.007586
O -6.201931 -0.808323 -0.353785
O 0.424418 -1.351204 2.354387
C -0.686594 0.804379 -0.042989
C 1.820313 0.476226 -0.126605
C -0.463531 2.231420 0.112106
C 0.480902 -0.015002 -0.072113
C 1.985449 1.909921 0.032804
C -2.076611 0.320763 -0.141142
C 3.028822 -0.349929 -0.318531
C 0.850658 2.738069 0.165025
C -3.160963 1.261971 0.056009
C 4.326856 0.278261 -0.196636
C -1.585497 3.131818 0.275784
C 3.308433 2.488789 0.117184
C -2.878611 2.665575 0.281012
C 4.434265 1.701705 0.040685
C -2.448238 -1.015670 -0.484051
C 3.010417 -1.734331 -0.686508
C -4.512758 0.833789 -0.016053
C 5.517030 -0.493498 -0.358296
C -3.787282 -1.428251 -0.571973
C -4.834424 -0.500136 -0.313657
C 4.193839 -2.468922 -0.860227
C 5.462025 -1.856063 -0.674523
C 0.284795 -2.017333 1.317354
C 0.090621 -3.513423 1.218460
C -6.579842 -2.185490 -0.680509
H 0.996936 3.813216 0.324478
H -1.372924 4.198024 0.414578
H 3.388212 3.572162 0.262313
H -3.722331 3.349374 0.427212
H 5.434414 2.141414 0.128741
H -1.668985 -1.741006 -0.717318
H 2.054409 -2.224740 -0.867969
H -5.325030 1.550357 0.143277
H 6.484898 0.009666 -0.245791
H -4.007476 -2.463391 -0.849536
H 4.134818 -3.523976 -1.150352
H 6.382233 -2.437054 -0.798278
H -0.016138 -3.842843 0.174886
H -0.806216 -3.800592 1.794238
H 0.955609 -4.020252 1.680493
H -6.175536 -2.901751 0.060864
H -6.238449 -2.468000 -1.695310
H -7.678960 -2.196473 -0.644022


