%chk=000093450.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093450

1 1
 O   -2.164600       1.013800     -0.8330000    
 O  -0.5807000      -1.370700     -0.8368000    
 O    4.110500      -1.357300     -0.7798000    
 O   0.4796000     -0.6356000       1.076100    
 N    4.474800       1.004700      0.6106000    
 N    1.783100      -1.100800     -0.8373000    
 C   -3.139200       2.008600     -0.4046000    
 C   -4.330600       1.283200      0.2637000    
 C   -3.728500     -5.0500002E-02  0.4874000    
 C   -2.518400     -0.1372000     -0.1796000    
 C   -2.435800       2.958200      0.5733000    
 C   -3.588000       2.779400      -1.647100    
 C    3.184400      0.2716000      0.6953000    
 C    4.556200       2.087200       1.694500    
 C    5.656900      4.5899998E-02  0.8013000    
 C    4.624500       1.683800     -0.7568000    
 C   -1.763300      -1.294400     -0.1766000    
 C   -4.230700      -1.131600       1.189300    
 C    3.089200     -0.8001000     -0.3681000    
 C   -2.254100      -2.391000      0.5341000    
 C   -3.480300      -2.309900       1.213800    
 C   0.5730000      -1.000700     -9.3599997E-02
 C    1.681900      -1.556700      -2.226300    
 H   -5.189700       1.191700     -0.4098000    
 H   -4.649700       1.763200       1.193700    
 H   -3.106200       3.754900      0.9112000    
 H   -2.069100       2.417700       1.453400    
 H   -1.557300       3.416800      0.1052000    
 H   -4.326200       3.548500      -1.398200    
 H   -2.734000       3.260500      -2.137400    
 H   -4.026400       2.101700      -2.388400    
 H    2.383900       1.008900      0.5715000    
 H    3.108000     -0.1903000       1.685900    
 H    3.709000       2.766600       1.561900    
 H    5.500300       2.628700       1.582700    
 H    4.505000       1.594600       2.669900    
 H    5.382600     -0.7242000       1.528200    
 H    5.978600     -0.3735000     -0.1544000    
 H    6.500500      0.6243000       1.193900    
 H    3.777400       2.362600     -0.8938000    
 H    4.647100      0.9352000      -1.551700    
 H    5.563400       2.246500     -0.7549000    
 H   -5.183200      -1.073700       1.704600    
 H   -1.689800      -3.319700      0.5642000    
 H   -3.850200      -3.174000       1.758900    
 H   0.9674000     -0.9240000      -2.762400    
 H    1.314800      -2.587700      -2.230800    
 H    2.646700      -1.511700      -2.738600    


%chk=000093450-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093450

1 1
O -1.993220 0.909736 -0.642482
O -0.478306 -1.606240 -0.547057
O 3.865605 -0.533083 -1.644675
O 0.598543 -0.106307 0.903456
N 4.519472 1.079585 0.589498
N 1.673355 -0.994278 -1.019285
C -3.043125 2.025530 -0.398914
C -4.266274 1.289166 0.254095
C -3.746600 -0.105549 0.565771
C -2.455161 -0.230309 0.004972
C -2.374878 3.020065 0.562360
C -3.345487 2.627059 -1.774276
C 3.100955 0.483583 0.449446
C 4.525175 1.877112 1.896785
C 5.589149 -0.015026 0.683468
C 4.845321 2.032966 -0.566099
C -1.755470 -1.443834 0.110036
C -4.340557 -1.195225 1.224058
C 2.920258 -0.380180 -0.816831
C -2.338283 -2.548890 0.757361
C -3.630132 -2.421068 1.318153
C 0.577113 -0.829193 -0.118234
C 1.496475 -1.833321 -2.242633
H -5.120601 1.245885 -0.446685
H -4.605834 1.822785 1.159359
H -3.057774 3.863602 0.771710
H -2.121414 2.530376 1.518988
H -1.449587 3.425778 0.118111
H -4.090321 3.437762 -1.677700
H -2.432449 3.049864 -2.227716
H -3.752574 1.861937 -2.457217
H 2.385902 1.322257 0.455545
H 2.898631 -0.103656 1.360136
H 3.751277 2.658235 1.849834
H 5.515485 2.339349 2.024540
H 4.318670 1.197997 2.737945
H 5.317953 -0.704467 1.498166
H 5.631848 -0.547880 -0.274704
H 6.554876 0.464495 0.905729
H 4.069679 2.813423 -0.610535
H 4.867204 1.455993 -1.499310
H 5.826838 2.491572 -0.370137
H -5.343499 -1.107995 1.654478
H -1.786880 -3.492205 0.815349
H -4.083045 -3.278892 1.823493
H 0.662487 -1.439297 -2.842354
H 1.270154 -2.870848 -1.953980
H 2.431845 -1.794872 -2.817414


