%chk=000186735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186735

0 1
O 0.529611 -2.507743 0.661694
O 0.303755 2.103566 0.048532
N 2.047224 0.698631 0.757699
N -0.011223 -0.247563 0.279888
C 2.282400 -0.776543 0.713979
C 3.156424 -1.238729 -0.462601
C 4.396534 -0.350707 -0.612156
C 3.181256 1.600191 0.435948
C 3.996809 1.120848 -0.772799
C 0.854963 -1.354442 0.568314
C 0.735234 1.003762 0.293793
C -1.438649 -0.336146 0.065316
C -2.234261 0.814598 0.165949
C -2.013856 -1.580845 -0.247524
C -3.616861 0.722599 -0.052526
C -3.391604 -1.655311 -0.457196
C -4.195906 -0.517363 -0.364081
C -4.459127 1.951822 0.056419
H 2.730582 -1.089713 1.691555
H 2.574863 -1.225335 -1.407450
H 3.449996 -2.296526 -0.307331
H 4.987470 -0.680961 -1.488704
H 5.061573 -0.471430 0.265486
H 3.821619 1.642854 1.347785
H 2.782474 2.628314 0.265641
H 4.897619 1.753901 -0.886979
H 3.413787 1.257384 -1.705366
H -1.790410 1.785839 0.400438
H -1.405057 -2.484180 -0.315050
H -3.842899 -2.618574 -0.697132
H -5.266840 -0.594350 -0.531869
H -4.471779 2.330591 1.089291
H -4.069441 2.762082 -0.577599
H -5.501879 1.782579 -0.239866


%chk=000186735-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186735

0 1
O 0.511662 -2.463245 0.749438
O 0.249107 2.152152 -0.338702
N 2.023484 0.743962 0.343832
N -0.041760 -0.198270 0.190321
C 2.232687 -0.676638 0.652143
C 3.255148 -1.313810 -0.324256
C 4.533410 -0.440783 -0.375003
C 3.162420 1.651371 0.160530
C 4.200078 1.013681 -0.796299
C 0.817442 -1.261747 0.549237
C 0.711446 1.044005 0.027860
C -1.465397 -0.301311 -0.012522
C -2.303380 0.799710 0.283808
C -2.018393 -1.512166 -0.501861
C -3.703301 0.713205 0.085011
C -3.412386 -1.600090 -0.687824
C -4.251138 -0.498899 -0.402770
C -4.591156 1.904402 0.403141
H 2.598189 -0.804288 1.691925
H 2.804443 -1.376383 -1.333613
H 3.475772 -2.343569 0.007412
H 5.259825 -0.882392 -1.081694
H 5.019583 -0.436023 0.622873
H 3.631726 1.853261 1.145164
H 2.769778 2.604149 -0.233417
H 5.115677 1.634111 -0.801482
H 3.792771 1.014333 -1.825973
H -1.864015 1.733023 0.645239
H -1.374064 -2.367919 -0.711099
H -3.845157 -2.534171 -1.062557
H -5.333243 -0.579555 -0.559030
H -4.591538 2.125576 1.487442
H -4.239597 2.816043 -0.113912
H -5.635726 1.721373 0.098135


