%chk=000058690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058690

1 1
 O   0.3128000      0.7885000      -1.165400    
 O  -0.9531000       2.187600      0.1534000    
 N    3.380600       2.338700      0.3065000    
 C    2.273800       1.303000      0.1702000    
 C    1.419500       1.675500      -1.044700    
 C    4.304800       2.255400     -0.8997000    
 C    4.176200       2.066700       1.575000    
 C    2.767500       3.729700      0.3806000    
 C    2.813600     -0.1062000      9.0800002E-02
 C    3.071500     -0.6643000      -1.150300    
 C    3.040300     -0.8122000       1.260900    
 C   -1.943400      0.1552000     -0.7766000    
 C  -0.8316000       1.165100     -0.5093000    
 C    3.570100      -1.965000      -1.223500    
 C    3.538900      -2.112900       1.187700    
 C    3.803800      -2.689300     -5.4499999E-02
 C   -1.596200      -1.267800     -0.3595000    
 C   -3.293500      0.5974000     -0.2265000    
 C   -2.155800      -2.320600      -1.053200    
 C   -3.636800      0.2411000       1.060900    
 C  -0.7333000      -1.459600      0.6995000    
 C   -4.130300       1.339500      -1.033500    
 C   -1.838300      -3.624000     -0.6708000    
 C   -4.873200      0.6456000       1.564400    
 C  -0.4155000      -2.762900       1.081800    
 C   -5.366600       1.744000     -0.5300000    
 C  -0.9681000      -3.845100      0.3966000    
 C   -5.738000       1.397000      0.7690000    
 H    1.645300       1.382900       1.068600    
 H    1.024000       2.693400     -0.9961000    
 H    1.936400       1.634200      -2.005300    
 H    4.817700       1.292000     -0.9241000    
 H    3.767800       2.464100      -1.825500    
 H    5.066000       3.034000     -0.7714000    
 H    4.772100       1.158800       1.457700    
 H    4.863600       2.905100       1.730400    
 H    3.484800       2.000300       2.420000    
 H    1.929800       3.714700       1.084100    
 H    3.536300       4.420900      0.7422000    
 H    2.463700       4.063700     -0.6149000    
 H    2.927000     -0.1432000      -2.088500    
 H    2.822100     -0.3852000       2.235100    
 H   -2.032500      0.1441000      -1.874900    
 H    3.780200      -2.413300      -2.190300    
 H    3.716200      -2.678500       2.097700    
 H    4.191400      -3.702300     -0.1115000    
 H   -2.834800      -2.157400      -1.884700    
 H   -2.983000     -0.3208000       1.717600    
 H  -0.3062000     -0.6369000       1.263500    
 H   -3.849000       1.616900      -2.044900    
 H   -2.268900      -4.466600      -1.203900    
 H   -5.160500      0.3804000       2.577800    
 H   0.2576000      -2.935600       1.916500    
 H   -6.039700       2.330100      -1.149000    
 H  -0.7215000      -4.859700      0.6953000    
 H   -6.700000       1.713400       1.161500    


%chk=000058690-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058690

1 1
O 0.188562 0.688711 -1.185320
O -0.469891 1.357550 0.942990
N 3.260445 2.096581 0.614091
C 2.391541 0.976948 -0.134095
C 1.325099 1.630156 -1.052847
C 4.091736 2.925283 -0.356834
C 4.200672 1.399180 1.596219
C 2.335595 3.025315 1.417830
C 3.244653 -0.073538 -0.826446
C 3.832359 0.136334 -2.103728
C 3.407966 -1.337531 -0.199604
C -1.845760 -0.299547 -0.336365
C -0.690862 0.656309 -0.072375
C 4.589151 -0.882546 -2.720025
C 4.156810 -2.360790 -0.819481
C 4.755990 -2.132490 -2.079326
C -1.850730 -1.475656 0.653631
C -3.159597 0.515432 -0.382355
C -2.212203 -2.755886 0.161709
C -3.906637 0.802721 0.784973
C -1.550869 -1.328656 2.032272
C -3.611211 1.003323 -1.634536
C -2.279131 -3.868134 1.028645
C -5.092917 1.564729 0.698101
C -1.613556 -2.444190 2.898602
C -4.797733 1.765171 -1.720748
C -1.978580 -3.715913 2.402130
C -5.541434 2.049095 -0.552566
H 1.857616 0.512212 0.712798
H 0.941738 2.580133 -0.645764
H 1.678907 1.768193 -2.083882
H 4.826187 2.274695 -0.851395
H 3.430485 3.388279 -1.104268
H 4.610825 3.713532 0.210824
H 4.833906 0.685332 1.052000
H 4.823530 2.162044 2.088859
H 3.599338 0.866007 2.348698
H 1.503601 2.438386 1.835383
H 2.928203 3.495513 2.217104
H 1.930636 3.808381 0.761456
H 3.692964 1.081515 -2.642520
H 2.927211 -1.532687 0.767308
H -1.673413 -0.707253 -1.347507
H 5.034956 -0.708592 -3.704552
H 4.262397 -3.333205 -0.328449
H 5.334160 -2.925028 -2.565000
H -2.454044 -2.880860 -0.900688
H -3.579114 0.417295 1.755403
H -1.275007 -0.346003 2.430153
H -3.041191 0.779618 -2.545177
H -2.566804 -4.848632 0.634461
H -5.671152 1.773976 1.604546
H -1.388206 -2.317630 3.963415
H -5.143971 2.128575 -2.694295
H -2.033173 -4.577242 3.076374
H -6.464452 2.635083 -0.617029


