%chk=000177839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177839

0 1
 O    3.466500       1.500000      -1.723900    
 O   -1.569800      0.2807000      -1.913500    
 O   -2.898300     -3.7400000E-02  0.5074000    
 O   -6.396900      0.6965000      0.8039000    
 O   -5.310300     -0.8573000     -0.4582000    
 N    3.078100       2.070500      0.4955000    
 C    3.085100      -2.580500       1.252000    
 C    3.498800      -1.428900      0.3312000    
 C    2.146900      -3.587300      0.5826000    
 C    4.495000     -0.4633000      0.9759000    
 C   0.8228000      -2.930500      0.1855000    
 C    4.929200      0.6223000     -7.7000000E-03
 C  -0.1317000      -3.942300     -0.4481000    
 C    3.756900       1.432900     -0.5327000    
 C   -1.435500      -3.286700     -0.8747000    
 C    1.921000       2.909400      0.2810000    
 C   0.6412000       2.126400      0.3376000    
 C   0.1189000       1.558500     -0.8245000    
 C  -2.5500000E-02   1.966800       1.552300    
 C   -1.069900      0.8307000     -0.7719000    
 C   -1.736700      0.6711000      0.4429000    
 C   -1.214500       1.239300       1.604900    
 C   -4.055700      0.6561000      0.9700000    
 C  -0.8275000      0.4904000      -3.113100    
 C   -5.288100      6.2700003E-02  0.3458000    
 H    3.984300      -3.114000       1.583300    
 H    2.609000      -2.175800       2.153500    
 H    2.607900     -0.8662000      3.7000000E-02
 H    3.935800      -1.843000     -0.5859000    
 H    2.633100      -4.017600     -0.3009000    
 H    1.954700      -4.411300       1.279900    
 H    5.384300      -1.018300       1.298200    
 H    4.053600     -2.8600000E-02   1.879400    
 H   0.3513000      -2.479500       1.067100    
 H   0.9938000      -2.127800     -0.5395000    
 H    5.634300       1.306700      0.4778000    
 H    5.447000      0.1735000     -0.8632000    
 H   0.3403000      -4.404900      -1.322700    
 H  -0.3492000      -4.745000      0.2661000    
 H   -2.110800      -4.032200      -1.306000    
 H   -1.256400      -2.516400      -1.630600    
 H   -1.941000      -2.824300     -2.1199999E-02
 H    3.409700       1.975000       1.450200    
 H    2.015500       3.420400     -0.6845000    
 H    1.930100       3.687000       1.053300    
 H   0.6775000       1.717700      -1.740300    
 H   0.3733000       2.401000       2.465200    
 H   -1.718000       1.115800       2.559800    
 H   -4.011500       1.716300      0.6929000    
 H   -4.122600      0.5434000       2.056900    
 H   -1.368400     -1.6899999E-02  -3.918800    
 H   0.1650000      2.9800000E-02  -3.058900    
 H  -0.7822000       1.551700      -3.380100    
 H   -7.217300      0.3280000      0.4121000    


%chk=000177839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000177839

0 1
O 3.744927 2.125144 -1.485082
O -1.080585 0.133733 -2.013265
O -2.986266 0.373773 -0.201913
O -6.242303 -0.234084 1.278156
O -5.283467 -1.139220 -0.644821
N 3.154013 2.150906 0.762395
C 3.076251 -2.681163 0.836555
C 3.450367 -1.377406 0.092823
C 1.967187 -3.515174 0.148114
C 4.531719 -0.562084 0.837539
C 0.553459 -2.890714 0.227512
C 5.021102 0.689295 0.059374
C -0.538745 -3.784085 -0.405734
C 3.925682 1.702487 -0.298559
C -1.961062 -3.201771 -0.255310
C 2.036676 3.103613 0.578150
C 0.684284 2.418898 0.410868
C 0.454846 1.617106 -0.740377
C -0.336123 2.551702 1.371628
C -0.771148 0.948019 -0.922168
C -1.802010 1.083086 0.064896
C -1.576769 1.886963 1.200662
C -4.036309 0.476098 0.792584
C -0.054883 -0.008774 -3.052850
C -5.201257 -0.395076 0.343956
H 3.991221 -3.301444 0.938570
H 2.751475 -2.433268 1.869659
H 2.549105 -0.749211 -0.048347
H 3.820952 -1.629047 -0.922636
H 2.238622 -3.681513 -0.915964
H 1.929953 -4.520155 0.617383
H 5.410670 -1.210593 1.028212
H 4.149839 -0.277349 1.841811
H 0.299868 -2.707283 1.293456
H 0.537421 -1.899045 -0.268030
H 5.808119 1.207894 0.643172
H 5.473989 0.379333 -0.898057
H -0.309619 -3.929569 -1.481840
H -0.494371 -4.791467 0.058936
H -2.719696 -3.861733 -0.715118
H -2.047271 -2.209532 -0.733685
H -2.223401 -3.084411 0.814759
H 3.263065 1.704032 1.674607
H 2.285474 3.689392 -0.324905
H 2.014409 3.790032 1.444169
H 1.252277 1.539610 -1.486180
H -0.177044 3.173958 2.260072
H -2.355533 2.008550 1.959307
H -4.397057 1.519181 0.906400
H -3.697649 0.121772 1.788795
H -0.505640 -0.673311 -3.803760
H 0.868405 -0.466788 -2.647599
H 0.190122 0.968516 -3.510767
H -7.014187 -0.803221 1.012744


