%chk=000162663.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162663

0 1
 O    3.295300     -0.1316000     -8.0300003E-02
 O    1.939300      0.5332000       2.423400    
 O   0.5550000       3.463600      -1.037200    
 O   0.9933000       3.025500       1.690800    
 O   -3.944400      0.2297000      -1.410000    
 O   -4.345800      -1.068600       1.003300    
 N    2.530300      -2.812800     -0.1664000    
 C    1.001600     -0.2482000      -1.045200    
 C    1.911900     -0.3893000      0.1815000    
 C    1.660000      -1.879100      0.5509000    
 C    1.502400      -1.344700      -2.099400    
 C  -0.4741000     -0.5374000     -0.5059000    
 C    1.138200       1.183900      -1.616400    
 C   0.4527000      -1.979800       1.488900    
 C    2.666800      -2.327400      -1.584200    
 C  -0.7044000      -1.262900      0.7325000    
 C    1.667800      0.6937000       1.234800    
 C   0.9734000       2.239400     -0.5519000    
 C    1.182300       2.028100      0.7585000    
 C   -1.591700     -7.2600000E-02  -1.213300    
 C    3.791300      -3.088200      0.4936000    
 C   -2.004500      -1.416800       1.226800    
 C   -2.880800     -0.2500000     -0.7027000    
 C   -3.084800     -0.9035000      0.5131000    
 C    1.499100       3.987300      -1.949000    
 C  -0.3370000       3.018700       2.172800    
 C   -4.541200     -0.6526000      -2.356900    
 C   -4.851800     -3.7500001E-02   1.848000    
 H    2.301200      -1.874000       1.450900    
 H    1.862000     -0.8579000      -3.013800    
 H   0.6495000      -1.970100      -2.392700    
 H   0.4258000       1.343700      -2.432400    
 H    2.136300       1.301800      -2.059700    
 H   0.5815000      -1.528800       2.478600    
 H   0.1830000      -3.034500       1.619800    
 H    2.690700      -3.202700      -2.243900    
 H    3.625900      -1.814000      -1.726900    
 H    3.791200     -0.2558000      0.7468000    
 H   -1.477900      0.4373000      -2.165000    
 H    3.634100      -3.535000       1.482700    
 H    4.447500      -2.221300      0.6030000    
 H    4.347000      -3.837000     -8.3300002E-02
 H   -2.175000      -1.958600       2.153900    
 H    1.263900       5.044900      -2.104800    
 H    1.432000       3.493200      -2.923800    
 H    2.522700       3.930800      -1.560200    
 H  -0.4315000       3.808100       2.924400    
 H  -0.5817000       2.064400       2.652600    
 H   -1.053700       3.228800       1.371200    
 H   -4.926900      -1.548500      -1.860200    
 H   -3.817800     -0.9332000      -3.129000    
 H   -5.375700     -0.1308000      -2.833100    
 H   -4.895500      0.9149000       1.310200    
 H   -4.229900      6.4700000E-02   2.743000    
 H   -5.864600     -0.3121000       2.155300    


%chk=000162663-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162663

0 1
O 3.623529 0.051006 -0.233028
O 2.596063 0.891000 2.460986
O 0.442631 3.631444 -0.789886
O 1.179603 3.310319 1.768740
O -3.597020 0.079887 -1.862809
O -4.165163 -1.258217 0.695286
N 2.090435 -2.614096 -0.064790
C 1.290556 -0.052972 -0.934055
C 2.237124 -0.134619 0.281957
C 2.060751 -1.519213 0.945565
C 1.768893 -1.084575 -2.021415
C -0.150783 -0.386626 -0.476536
C 1.384410 1.391498 -1.502687
C 0.690246 -1.541826 1.665040
C 2.566398 -2.271995 -1.423879
C -0.425122 -1.078673 0.737724
C 2.055014 1.020649 1.306470
C 1.032683 2.424641 -0.456053
C 1.368100 2.238624 0.882138
C -1.237578 -0.040752 -1.316853
C 2.657593 -3.864481 0.459494
C -1.769955 -1.342935 1.092517
C -2.571389 -0.321863 -0.969701
C -2.847013 -0.952157 0.276422
C 0.049851 3.896264 -2.184715
C 0.545956 2.987089 3.065017
C -4.404824 -1.037631 -2.406233
C -5.024031 -0.072154 0.920819
H 2.867126 -1.635610 1.704713
H 2.416933 -0.570480 -2.755496
H 0.877935 -1.456191 -2.558065
H 0.744477 1.491810 -2.394937
H 2.431345 1.547049 -1.831205
H 0.733376 -0.913186 2.575533
H 0.481921 -2.574682 2.000756
H 2.415163 -3.167250 -2.057826
H 3.653247 -2.028353 -1.439636
H 4.211323 0.136332 0.563149
H -1.077824 0.442888 -2.286803
H 2.177097 -4.126887 1.419796
H 3.762293 -3.813578 0.634868
H 2.463309 -4.690626 -0.249139
H -2.002043 -1.860821 2.030250
H -0.306712 4.936239 -2.171648
H -0.771438 3.226527 -2.499389
H 0.908171 3.804608 -2.874739
H 0.449790 3.955855 3.578628
H 1.181483 2.300156 3.648490
H -0.456676 2.544407 2.905805
H -4.863893 -1.625602 -1.591324
H -3.770707 -1.695850 -3.030448
H -5.180891 -0.564797 -3.027567
H -5.093420 0.546337 0.007582
H -4.621463 0.535152 1.753816
H -6.012576 -0.472681 1.192997


