%chk=000178091.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178091

0 1
 O   -2.488000      0.2837000      0.7901000    
 O   -3.731600     -0.8813000     -0.7752000    
 O  -0.1344000      0.1483000       1.040200    
 N  -3.7700001E-02  -3.047500     -0.3158000    
 C   -4.737900      0.8752000      0.4495000    
 C   -4.555700       2.362500      0.3698000    
 C   -5.436300       1.660400     -0.6218000    
 C   -3.607500     -1.2000000E-02  7.5199999E-02
 C   -1.305500     -0.5050000      0.5304000    
 C   -1.451100      -1.839000       1.281000    
 C  -0.2327000      -2.744500       1.097600    
 C    1.125700      -3.901300     -0.5077000    
 C   0.5830000      0.9457000      0.1900000    
 C    1.969400       1.112800      0.3403000    
 C    2.405400      -3.071300     -0.4565000    
 C    1.002300      -4.636300      -1.838600    
 C    2.667600       1.948700     -0.5636000    
 C  -0.1052000       1.593600     -0.8363000    
 C    2.678300      0.4688000       1.367400    
 C    1.958800       2.592600      -1.591100    
 C   0.5814000       2.415200      -1.725300    
 C    4.053900       2.115800     -0.4138000    
 C    4.055600      0.6465000       1.501600    
 C    4.742100       1.468500      0.6127000    
 H   -5.362400      0.4948000       1.251300    
 H   -5.034100       2.970100       1.128300    
 H   -3.614100       2.758600      9.3000000E-03
 H   -5.080700       1.583100      -1.642000    
 H   -6.506900       1.797300     -0.5306000    
 H   -1.214200     -0.7049000     -0.5459000    
 H   -1.575800      -1.637000       2.352900    
 H   -2.361400      -2.362600      0.9653000    
 H   0.6454000      -2.257200       1.532500    
 H  -0.4046000      -3.668600       1.663000    
 H  -0.8748000      -3.511900     -0.6681000    
 H    1.171300      -4.672800      0.2721000    
 H    3.276300      -3.694800     -0.6876000    
 H    2.576000      -2.639100      0.5339000    
 H    2.382400      -2.253000      -1.185400    
 H    1.864800      -5.292300      -2.000000    
 H   0.1032000      -5.262300      -1.863600    
 H   0.9519000      -3.936800      -2.680800    
 H   -1.178400       1.516400     -0.9711000    
 H    2.172500     -0.1797000       2.079200    
 H    2.474700       3.240700      -2.296600    
 H   4.4799998E-02   2.924700      -2.520400    
 H    4.610800       2.753400      -1.097200    
 H    4.592100      0.1425000       2.300200    
 H    5.814300       1.606200      0.7176000    


%chk=000178091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178091

0 1
O -2.190291 0.110093 0.981846
O -2.966455 0.146980 -1.235191
O 0.174379 -0.142041 0.966534
N -0.279925 -3.569690 -0.213532
C -4.087405 1.449643 0.501801
C -4.589490 2.582026 -0.430722
C -5.500433 1.403948 -0.134921
C -3.060678 0.525666 -0.040309
C -1.062371 -0.809668 0.631899
C -1.166793 -2.037090 1.531649
C -0.096127 -3.089203 1.173817
C 0.842007 -4.356999 -0.798213
C 0.767075 0.771088 0.061514
C 2.003379 1.341590 0.535045
C 2.013092 -3.426890 -1.185802
C 0.317237 -5.119684 -2.031876
C 2.705703 2.270325 -0.325617
C 0.241772 1.106928 -1.189307
C 2.552872 1.018590 1.818054
C 2.155795 2.597959 -1.609717
C 0.952265 2.026936 -2.022623
C 3.939498 2.837243 0.137573
C 3.757235 1.589645 2.238614
C 4.457499 2.505775 1.391613
H -4.005362 1.659152 1.569491
H -4.795788 3.546261 0.040802
H -4.128858 2.628859 -1.420871
H -5.646161 0.667251 -0.929397
H -6.347093 1.543533 0.542288
H -1.116775 -1.072475 -0.438802
H -1.055894 -1.721202 2.584960
H -2.180609 -2.465703 1.414187
H 0.899175 -2.618632 1.253838
H -0.128373 -3.911088 1.930572
H -1.173126 -4.073937 -0.313202
H 1.224457 -5.109705 -0.061988
H 2.853644 -4.015424 -1.598243
H 2.395041 -2.858764 -0.318880
H 1.678072 -2.698923 -1.946406
H 1.129204 -5.695721 -2.509501
H -0.486040 -5.830465 -1.756173
H -0.088667 -4.407474 -2.773676
H -0.702902 0.687794 -1.547115
H 2.006812 0.322086 2.459953
H 2.691786 3.301809 -2.256398
H 0.529002 2.278439 -3.001152
H 4.471524 3.540422 -0.514479
H 4.169219 1.338519 3.222313
H 5.400872 2.947113 1.732150


