%chk=000103604.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103604

0 1
 O  -0.9506000       2.420700     -0.9432000    
 O   -2.582000       2.003400      0.6900000    
 O   0.2844000      -2.193100     -0.5545000    
 O    2.955600      -2.630900      -1.313300    
 N    4.084300     -0.3666000     -2.4800001E-02
 C   -1.872200       1.451200      -1.460600    
 C   -3.100100       1.607000     -0.5851000    
 C   -1.210200      6.4499997E-02  -1.469700    
 C   -3.939800      0.3473000     -0.4388000    
 C   -1.365400       2.698200      0.3996000    
 C   -1.770100     -0.9352000     -0.4897000    
 C   -3.086700     -0.8199000     -1.5100000E-02
 C  -0.2886000       2.226000       1.367500    
 C   -1.600600       4.198600      0.5324000    
 C  -0.9940000      -2.037000     -0.1029000    
 C   -3.609000      -1.806900      0.8316000    
 C   -1.516200      -3.006000      0.7535000    
 C   -2.823600      -2.892000       1.218800    
 C    1.194100      -2.877500      0.3035000    
 C    2.604900      -2.353200      4.5400001E-02
 C    4.184500       1.070200      0.1927000    
 C    2.742200     -0.8464000      0.2756000    
 C    5.609900       1.517600     -0.1485000    
 C    3.178800       1.774000     -0.7244000    
 C    3.870200       1.385800       1.659900    
 H   -2.094100       1.732000      -2.496600    
 H   -3.724600       2.433500     -0.9459000    
 H  -0.1310000      0.1812000      -1.318800    
 H   -1.347400     -0.3735000      -2.467400    
 H   -4.428800      0.1003000      -1.388100    
 H   -4.717500      0.5225000      0.3142000    
 H  -9.5600002E-02   1.154900       1.242000    
 H   0.6573000       2.748500       1.194500    
 H  -0.5954000       2.378600       2.407600    
 H  -0.6913000       4.765300      0.3066000    
 H   -2.371000       4.532500     -0.1720000    
 H   -1.947400       4.459000       1.537900    
 H   -4.630500      -1.734800       1.196200    
 H  -0.9583000      -3.888100       1.052500    
 H   -3.236300      -3.653600       1.873900    
 H   0.9662000      -2.714400       1.364600    
 H    1.151800      -3.947400      6.8899997E-02
 H    3.312500      -2.897200      0.6815000    
 H    2.455200     -0.6642000       1.315400    
 H    2.010700     -0.3654000     -0.3769000    
 H    4.761200     -0.8601000      0.5569000    
 H    5.729300       2.598400     -1.0400000E-02
 H    5.861400       1.288700      -1.190800    
 H    6.349400       1.020400      0.4903000    
 H    2.138800       1.674500     -0.4009000    
 H    3.255900       1.419900      -1.759600    
 H    3.379600       2.852700     -0.7453000    
 H    4.139500       2.424800       1.887700    
 H    4.446800      0.7525000       2.344500    
 H    2.809100       1.292000       1.911600    
 H    2.308200      -2.181900      -1.883500    


%chk=000103604-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103604

0 1
O -0.581932 1.798588 -0.006695
O -2.774656 2.079615 0.759865
O 0.337095 -2.131596 -0.540442
O 3.169533 -2.478467 -1.289360
N 3.992650 -0.388062 0.123701
C -1.444025 1.474891 -1.172812
C -2.914455 1.698659 -0.666047
C -1.140811 0.028124 -1.601404
C -3.802376 0.439993 -0.746560
C -1.398042 2.583521 0.950283
C -1.745097 -0.978849 -0.643448
C -3.085046 -0.793552 -0.227780
C -0.950437 2.226538 2.363563
C -1.317438 4.085287 0.619213
C -1.005221 -2.079610 -0.135786
C -3.697536 -1.721050 0.647939
C -1.621317 -3.029735 0.715685
C -2.969798 -2.842735 1.098330
C 1.258823 -3.048782 0.142429
C 2.675212 -2.468015 0.078418
C 4.039376 1.110060 -0.033130
C 2.746042 -1.012754 0.635918
C 5.471776 1.442932 -0.517531
C 3.010833 1.554263 -1.102695
C 3.752707 1.838864 1.311643
H -1.207451 2.174650 -1.999048
H -3.391415 2.532736 -1.219784
H -0.051531 -0.113727 -1.684822
H -1.561593 -0.120352 -2.618799
H -4.086821 0.302096 -1.811667
H -4.735258 0.624528 -0.185145
H -1.046486 1.139071 2.510825
H 0.101525 2.524204 2.515715
H -1.578656 2.747801 3.105610
H -0.276169 4.438926 0.714114
H -1.658174 4.279534 -0.413225
H -1.956275 4.661419 1.310791
H -4.731799 -1.564025 0.973731
H -1.074500 -3.908307 1.070848
H -3.445761 -3.577139 1.757851
H 0.967996 -3.164966 1.207246
H 1.235801 -4.035177 -0.358442
H 3.311761 -3.135015 0.711083
H 2.669579 -1.026707 1.744919
H 1.886033 -0.448766 0.242187
H 4.815816 -0.707067 0.658253
H 5.594478 2.532789 -0.647458
H 5.677615 0.948111 -1.483356
H 6.230903 1.103158 0.214634
H 1.969273 1.466804 -0.745725
H 3.126335 0.947481 -2.018600
H 3.179733 2.615720 -1.361025
H 3.789585 2.936064 1.178148
H 4.500065 1.562333 2.080298
H 2.747581 1.578529 1.690868
H 3.755451 -1.651434 -1.312821


