%chk=000176698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176698

0 1
 O   0.3311000       3.188600     -0.7906000    
 O    3.463600      -1.630700      0.4462000    
 O   -1.015300      -2.043600     -0.7401000    
 O    2.293500     -0.7103000      -1.305600    
 O   -3.612500      -2.246400      8.9000002E-02
 N   6.9300003E-02 -0.2087000      0.2410000    
 N   0.3780000       3.370600      0.5862000    
 C    1.215700     -0.9038000      0.8469000    
 C   0.1866000       1.227800      9.9100001E-02
 C   -1.052300     -0.9069000     -0.2647000    
 C   0.7810000      -2.259700       1.380600    
 C   0.2135000       1.863900      -1.063800    
 C   0.2863000       2.141000       1.100700    
 C    2.367800      -1.065300     -0.1336000    
 C   -2.383900     -0.1728000     -0.1648000    
 C   0.1504000       1.496200      -2.485000    
 C   0.3048000       1.961300       2.562400    
 C   -3.634500      -1.022000     -2.1700000E-02
 C   -4.940600     -0.2698000      2.6900001E-02
 C    4.597600      -1.809300     -0.4089000    
 H    1.581500     -0.2967000       1.681500    
 H  -0.1536000      -2.202800       1.949200    
 H   0.6833000      -3.016000      0.5950000    
 H    1.544200      -2.647900       2.066300    
 H   -2.363600      0.4937000      0.7044000    
 H   -2.495000      0.4287000      -1.073600    
 H    1.064200       1.807400      -3.000800    
 H   3.7700001E-02  0.4174000      -2.623900    
 H  -0.6998000       1.986800      -2.969200    
 H    1.332800       1.850700       2.922100    
 H  -0.1418000       2.820700       3.074000    
 H  -0.2619000       1.073700       2.862000    
 H   -4.959000      0.3748000      0.9090000    
 H   -5.772300     -0.9773000      8.5299999E-02
 H   -5.052800      0.3287000     -0.8806000    
 H    5.397700      -2.267100      0.1790000    
 H    4.945900     -0.8418000     -0.7828000    
 H    4.345000      -2.477000      -1.238000    


%chk=000176698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176698

0 1
O 0.396501 3.834286 0.041835
O 2.625658 -2.432881 -0.343350
O -0.671860 -1.833440 -0.448834
O 1.922515 -0.798391 -1.834890
O -3.581095 0.060545 1.422143
N 0.199615 0.197040 0.253838
N -0.236174 3.689772 1.381503
C 1.479033 -0.506708 0.590541
C 0.134729 1.618076 0.406958
C -0.833621 -0.586852 -0.259862
C 1.360699 -1.384326 1.851639
C 0.595113 2.568541 -0.501171
C -0.367999 2.355595 1.551787
C 1.986059 -1.249791 -0.667364
C -2.173913 0.095252 -0.567609
C 1.210855 2.479781 -1.857217
C -1.007351 1.821829 2.800801
C -3.271339 -0.504653 0.339867
C -3.897319 -1.800932 -0.128408
C 3.158658 -3.207793 -1.492670
H 2.215899 0.298108 0.777481
H 1.039432 -0.765132 2.707264
H 0.632729 -2.194015 1.692520
H 2.336146 -1.838480 2.089679
H -2.128213 1.182902 -0.411498
H -2.405426 -0.122042 -1.625129
H 2.171863 3.024056 -1.888714
H 1.389150 1.423518 -2.120117
H 0.551313 2.935096 -2.618614
H -0.348671 1.089887 3.301477
H -1.214074 2.646782 3.501293
H -1.959535 1.311585 2.562033
H -4.470353 -1.628824 -1.060173
H -4.566028 -2.213866 0.641785
H -3.091735 -2.518503 -0.375897
H 3.639996 -4.084477 -1.038205
H 3.882507 -2.600335 -2.061142
H 2.328837 -3.505111 -2.154481


