%chk=000114245.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114245

0 1
 O   -1.748000      0.2102000     -5.2000001E-02
 O  -0.9223000      -1.900000     -0.4857000    
 N   -5.420400      0.3797000     -0.1541000    
 C    1.743400      -1.011100     -0.2493000    
 C   -4.068100      0.8552000      2.3399999E-02
 C   0.5813000     -4.0800001E-02 -4.0399998E-02
 C   -3.084400     -0.2817000     -0.1954000    
 C    3.076200     -0.3322000     -6.8999998E-02
 C  -0.7587000     -0.7160000     -0.2250000    
 C   -6.391100       1.468300      1.9500000E-02
 C   -5.725000     -0.7107000      0.7819000    
 C    3.698200      0.2513000      -1.163500    
 C    3.661200     -0.3001000       1.188600    
 C    4.932100      0.8801000     -0.9967000    
 C    4.895100      0.3289000       1.355200    
 C    5.530500      0.9190000      0.2625000    
 H    1.662200      -1.855600      0.4479000    
 H    1.689100      -1.457600      -1.251100    
 H   -3.908100       1.294700       1.017300    
 H   -3.841800       1.651600     -0.6973000    
 H   0.6162000      0.3750000      0.9735000    
 H   0.6489000      0.7843000     -0.7593000    
 H   -3.203200     -0.7040000      -1.200900    
 H   -3.206200      -1.075200      0.5487000    
 H   -6.192400       2.275600     -0.6943000    
 H   -6.363400       1.886700       1.032100    
 H   -7.408000       1.114300     -0.1833000    
 H   -6.794100     -0.9541000      0.7475000    
 H   -5.476200     -0.4535000       1.817900    
 H   -5.218600      -1.640200      0.5047000    
 H    3.239400      0.2282000      -2.147900    
 H    3.173500     -0.7549000       2.046100    
 H    5.426500       1.340100      -1.847300    
 H    5.361000      0.3597000       2.335900    
 H    6.491000       1.408900      0.3925000    


%chk=000114245-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114245

0 1
O -1.758111 0.156151 -0.115264
O -0.913420 -1.931673 -0.714579
N -5.500925 0.336694 0.011061
C 1.813799 -1.060185 -0.315428
C -4.085771 0.742298 0.173639
C 0.629047 -0.078448 -0.137032
C -3.143546 -0.365938 -0.311902
C 3.150193 -0.366182 -0.096210
C -0.718541 -0.746180 -0.360375
C -6.416364 1.490414 -0.100905
C -5.954373 -0.625266 1.037627
C 3.812571 0.289742 -1.166298
C 3.746961 -0.327893 1.190529
C 5.034860 0.967756 -0.957624
C 4.969370 0.348500 1.405190
C 5.617453 1.000803 0.330762
H 1.689694 -1.899038 0.393196
H 1.760948 -1.497640 -1.328840
H -3.831540 1.009067 1.229803
H -3.905457 1.643218 -0.440154
H 0.637414 0.371097 0.873865
H 0.718284 0.771998 -0.840129
H -3.303172 -0.583646 -1.381936
H -3.248516 -1.307071 0.255918
H -6.101840 2.138584 -0.937775
H -6.462575 2.116614 0.826278
H -7.438398 1.129889 -0.316067
H -6.983561 -0.952110 0.806075
H -5.950802 -0.194975 2.071825
H -5.312813 -1.522829 1.039668
H 3.371836 0.259839 -2.171052
H 3.253957 -0.839242 2.027246
H 5.534579 1.464028 -1.797518
H 5.417708 0.362566 2.405265
H 6.566851 1.523158 0.493842


