%chk=000097405.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097405

0 1
 O    3.270000      -1.061000      0.2841000    
 O  -0.5312000       1.753500      0.8573000    
 O   -3.030200      -2.504300     -0.4397000    
 O  -0.3938000       2.335400      -1.406000    
 N   -2.234000     -0.3747000      0.1830000    
 C  -0.8467000     -0.5359000      0.2115000    
 C  -1.3500000E-02  0.5308000      0.5488000    
 C    1.920100     -0.8889000      0.2612000    
 C    1.370000      0.3543000      0.5736000    
 C  -0.2966000      -1.779100     -0.1008000    
 C    1.086800      -1.955500     -7.5900003E-02
 C    4.075000      7.7100001E-02 -2.0300001E-02
 C   -3.208100      -1.330600     -0.1304000    
 C    5.371800     -0.3895000     -0.6464000    
 C  -0.6829000       2.605700     -0.2478000    
 C   -4.600200     -0.7567000     -4.6000000E-02
 C   -1.256400       3.919400      0.1938000    
 H    1.988000       1.198200      0.8677000    
 H  -0.8711000      -2.653200     -0.3719000    
 H    1.511200      -2.925600     -0.3205000    
 H   -2.566300      0.5566000      0.4242000    
 H    3.583900      0.7440000     -0.7402000    
 H    4.286300      0.6261000      0.9040000    
 H    6.019800      0.4590000     -0.8836000    
 H    5.906600      -1.063200      3.1199999E-02
 H    5.176000     -0.9524000      -1.565200    
 H   -4.806400     -0.4391000      0.9799000    
 H   -5.332100      -1.514700     -0.3382000    
 H   -4.690500      0.1005000     -0.7193000    
 H   -2.237800       3.759300      0.6470000    
 H   -1.375000       4.573800     -0.6744000    
 H  -0.5773000       4.398700      0.9031000    


%chk=000097405-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097405

0 1
O 3.276522 -1.107790 -0.258943
O -0.837410 1.719185 0.049744
O -3.136247 -2.661361 0.173199
O 0.925193 3.280533 -0.052555
N -2.333556 -0.454011 0.132129
C -0.931759 -0.660313 0.031921
C -0.094784 0.490518 -0.013824
C 1.895782 -0.885639 -0.164430
C 1.308452 0.403308 -0.111631
C -0.312840 -1.937100 -0.025489
C 1.084752 -2.045221 -0.122469
C 4.164498 0.073142 -0.297302
C -3.344390 -1.410814 0.197783
C 5.593947 -0.453216 -0.386881
C -0.291418 3.023155 0.028742
C -4.755808 -0.835209 0.307214
C -1.417415 4.029290 0.124308
H 1.901434 1.315652 -0.144108
H -0.947491 -2.824026 0.007770
H 1.567427 -3.025628 -0.166259
H -2.608496 0.530701 0.158837
H 3.908039 0.698197 -1.177190
H 4.012792 0.677356 0.620604
H 6.306682 0.390783 -0.418955
H 5.833428 -1.081315 0.488004
H 5.729087 -1.060933 -1.297758
H -5.216576 -1.192116 1.244752
H -5.366621 -1.225544 -0.524856
H -4.793113 0.268087 0.290280
H -2.140452 3.878263 -0.695738
H -1.002840 5.045915 0.069935
H -1.961421 3.904151 1.076966


