%chk=000130686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130686

0 1
 O   -3.423900      -1.929000      0.7016000    
 O    6.381900      -3.115200     -0.2417000    
 N   -6.777200      -1.321700     -0.6978000    
 C   -8.100400      -1.249900     -9.2900001E-02
 C   -7.354900     -3.5999999E-03 -0.4714000    
 C   -5.766800      -1.619800      0.3063000    
 C   -4.381400      -1.651300     -0.3191000    
 C    3.281900       2.123400     -0.3513000    
 C    4.396700       1.329300      0.3251000    
 C    1.921700       1.496900     -0.1365000    
 C    1.751700      0.1550000     -1.0500000E-02
 C    4.253800     -0.1438000      5.6699999E-02
 C    2.970900     -0.7077000     -9.1499999E-02
 C   0.3854000     -0.3952000      0.1777000    
 C   0.8135000       2.474700     -8.7200001E-02
 C    5.393800     -0.9593000      1.5600000E-02
 C    2.868800      -2.092900     -0.3022000    
 C   -2.171200      -1.425700      0.5291000    
 C  -0.1125000     -0.5728000       1.462500    
 C  -0.3799000     -0.7267000     -0.9336000    
 C    5.271400      -2.330100     -0.1960000    
 C    4.010600      -2.895600     -0.3570000    
 C   -1.395800      -1.090000       1.639000    
 C   -1.663200      -1.243900     -0.7572000    
 C   0.4314000       3.027300       1.131700    
 C   0.1605000       2.837400      -1.261500    
 C  -0.6128000       3.951100       1.176500    
 C  -0.8836000       3.761200      -1.216700    
 C   -1.270400       4.318000      2.4000001E-03
 H   -8.205700      -1.488600      0.9576000    
 H   -8.921700      -1.560200     -0.7250000    
 H   -6.964600      0.6267000      0.3167000    
 H   -7.674100      0.5243000      -1.361000    
 H   -5.963400      -2.611700      0.7365000    
 H   -5.755700     -0.9361000       1.167300    
 H    3.467300       2.184500      -1.432100    
 H    3.313600       3.150400      3.3599999E-02
 H   -4.196300     -0.6730000     -0.7829000    
 H   -4.325100      -2.434800      -1.084400    
 H    4.367900       1.487900       1.410500    
 H    5.364200       1.696900     -3.7099998E-02
 H    6.380700     -0.5224000      0.1495000    
 H    1.903800      -2.577200     -0.4275000    
 H   0.4813000     -0.3163000       2.336100    
 H   6.5000001E-03 -0.5968000      -1.941400    
 H    3.899000      -3.964200     -0.5218000    
 H   -1.786300      -1.228900       2.643300    
 H   -2.222400      -1.517600      -1.646900    
 H   0.9358000       2.751600       2.054400    
 H   0.4519000       2.412700      -2.218900    
 H  -0.9139000       4.384600       2.125600    
 H   -1.395700       4.046900      -2.130900    
 H   -2.083400       5.037200      3.7400000E-02
 H    6.110600      -4.036500     -0.3950000    


%chk=000130686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130686

0 1
O -3.536652 -1.638019 0.870940
O 6.095063 -3.466998 0.001325
N -6.949161 -1.982143 -0.554052
C -8.342939 -2.156265 -0.008862
C -7.834066 -0.769244 -0.373118
C -5.846969 -2.129461 0.434922
C -4.598477 -1.446131 -0.129999
C 3.535410 2.035210 -0.637030
C 4.531596 1.229625 0.221209
C 2.087904 1.666496 -0.288527
C 1.793465 0.337851 -0.023239
C 4.253289 -0.257358 0.093673
C 2.886856 -0.675303 -0.020461
C 0.393121 -0.157370 0.186983
C 1.101417 2.783636 -0.271408
C 5.291902 -1.204724 0.101409
C 2.621804 -2.066455 -0.137617
C -2.263195 -1.124952 0.577121
C 0.036679 -0.874821 1.364295
C -0.612003 0.045786 -0.790796
C 4.999737 -2.583911 -0.010304
C 3.660373 -3.019834 -0.134258
C -1.272170 -1.347067 1.566183
C -1.930229 -0.427789 -0.610580
C 0.096584 2.902463 0.732356
C 1.187869 3.819026 -1.247679
C -0.790649 3.998425 0.746806
C 0.292301 4.909729 -1.241406
C -0.704296 5.006578 -0.242871
H -8.456873 -2.381797 1.060868
H -9.043149 -2.677070 -0.668793
H -7.609515 -0.084906 0.457624
H -8.163880 -0.286013 -1.297669
H -5.643828 -3.207096 0.568771
H -6.084333 -1.696963 1.436003
H 3.729157 1.827068 -1.711891
H 3.698100 3.116076 -0.481418
H -4.777272 -0.363378 -0.293446
H -4.312677 -1.912318 -1.092903
H 4.416367 1.535301 1.282991
H 5.572277 1.459675 -0.070959
H 6.337832 -0.892848 0.188647
H 1.587825 -2.408455 -0.242433
H 0.796318 -1.054983 2.133496
H -0.358794 0.586292 -1.709032
H 3.427821 -4.088192 -0.232602
H -1.548504 -1.889931 2.475461
H -2.674515 -0.250593 -1.392439
H 0.024627 2.136550 1.510515
H 1.952509 3.759465 -2.031027
H -1.547546 4.069615 1.536460
H 0.373630 5.684052 -2.013018
H -1.396070 5.856357 -0.230187
H 5.790229 -4.403389 -0.094337


