%chk=000183603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183603

0 1
O -1.808314 0.730291 -0.732737
O -2.670659 -0.939788 0.623860
O 8.604077 0.877540 0.686563
O 8.488517 -1.242720 0.277181
N -4.014880 0.526176 -0.644660
N 7.983834 -0.140563 0.422704
C 2.290174 0.287593 -0.181922
C 3.754971 0.177294 -0.025420
C 1.748087 1.217887 -1.089001
C 1.436627 -0.533583 0.571344
C 4.518346 1.317483 0.285738
C 4.389027 -1.068152 -0.187462
C -0.457552 0.492252 -0.474709
C 0.370170 1.327139 -1.247358
C 0.050016 -0.436998 0.434741
C 6.519554 -0.030746 0.268107
C -5.335280 0.062826 -0.314703
C 5.899591 1.218321 0.434633
C 5.770062 -1.176938 -0.042883
C -7.956010 -0.747468 0.250878
C -6.418003 0.734250 -0.913676
C -5.555809 -1.010096 0.564198
C -7.719308 0.323248 -0.625636
C -6.863553 -1.406138 0.839587
C -9.348378 -1.189214 0.560664
C -2.842097 -0.024852 -0.142660
H 2.411989 1.851886 -1.678934
H 1.855136 -1.251670 1.279157
H 4.024766 2.280805 0.421063
H 3.797247 -1.950291 -0.436434
H -0.071094 2.035031 -1.946351
H -0.613793 -1.076888 1.025171
H 6.505854 2.097477 0.680089
H 6.277043 -2.140180 -0.169209
H -6.254649 1.566017 -1.595368
H -4.715613 -1.534068 1.031248
H -8.557536 0.842844 -1.089120
H -7.035909 -2.238986 1.521805
H -3.937969 1.314074 -1.296175
H -9.561931 -1.111383 1.636828
H -10.110287 -0.595317 0.039464
H -9.507664 -2.238793 0.272895


%chk=000183603-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183603

0 1
O -1.843401 0.708258 -0.627433
O -2.728862 -1.122818 0.630120
O 8.809531 1.003708 0.344899
O 8.645924 -1.268642 0.488110
N -4.065798 0.453234 -0.526483
N 8.123262 -0.092532 0.360503
C 2.366978 0.292247 -0.168320
C 3.843794 0.192780 -0.034322
C 1.765275 1.348579 -0.910323
C 1.505388 -0.660310 0.440493
C 4.660777 1.361378 -0.035525
C 4.485250 -1.073385 0.100878
C -0.460293 0.481398 -0.414941
C 0.369637 1.443535 -1.037014
C 0.102320 -0.581607 0.331836
C 6.654557 0.004978 0.224495
C -5.395704 0.015926 -0.255476
C 6.057569 1.278449 0.091509
C 5.880409 -1.176839 0.231256
C -8.114639 -0.737767 0.206791
C -6.456492 0.766714 -0.822275
C -5.691691 -1.117715 0.545206
C -7.795124 0.390092 -0.590385
C -7.037292 -1.475277 0.763145
C -9.555322 -1.146175 0.459509
C -2.887836 -0.110773 -0.088334
H 2.393785 2.084189 -1.423479
H 1.931055 -1.467530 1.046538
H 4.191855 2.348259 -0.102589
H 3.886011 -1.988905 0.070459
H -0.092757 2.246924 -1.617785
H -0.538871 -1.315930 0.819613
H 6.689139 2.170539 0.100897
H 6.379770 -2.144483 0.326720
H -6.237945 1.644653 -1.443819
H -4.879197 -1.700304 0.983881
H -8.601921 0.983042 -1.036737
H -7.253910 -2.353179 1.384240
H -3.956549 1.285564 -1.110114
H -9.793405 -1.135634 1.539831
H -10.263225 -0.467507 -0.046485
H -9.753253 -2.171534 0.094412


