%chk=000150641.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150641

0 1
 O  -0.1157000      0.6338000      -2.008900    
 O  -0.9799000      -1.114000       1.453600    
 O   -2.021900      -2.607100      -1.650700    
 O   -3.179400      -4.359000     -0.7914000    
 N   0.6147000      0.7212000      0.1945000    
 N   0.5464000       3.474000      -1.667400    
 N  -6.4599998E-02  -2.743000      7.4199997E-02
 C    1.093500     -0.6345000      0.2935000    
 C    2.229000     -0.7746000       1.313800    
 C  -0.3195000       2.721700     -0.7947000    
 C   -1.801600       2.943200      -1.117900    
 C   4.4300001E-02   1.250100     -0.9576000    
 C    3.562100     -0.3230000      0.7692000    
 C  -9.2299998E-02  -1.503200      0.6977000    
 C   -2.720300       2.174400     -0.1999000    
 C    4.395600      -1.234400      0.1210000    
 C    3.960600       1.006000      0.9136000    
 C   -3.119000      0.8806000     -0.5357000    
 C   -3.170500       2.757400      0.9847000    
 C   -1.096700      -3.740300      0.2448000    
 C    5.627600     -0.8171000     -0.3826000    
 C    5.192600       1.423300      0.4097000    
 C    6.026100      0.5116000     -0.2384000    
 C   -3.967900      0.1698000      0.3127000    
 C   -4.019500       2.046700       1.833100    
 C   -4.418100      0.7529000       1.497100    
 C   -2.205600      -3.616300     -0.7682000    
 H    1.433700     -0.9434000     -0.7031000    
 H    1.998800     -0.2196000       2.233500    
 H    2.323700      -1.822400       1.630200    
 H  -0.1341000       3.044500      0.2370000    
 H   0.6459000       1.290700       1.035000    
 H   -2.043800       4.012700      -1.052600    
 H   -2.018500       2.658300      -2.156900    
 H    1.515200       3.382300      -1.364000    
 H   0.3238000       4.466900      -1.609600    
 H    4.095100      -2.271800       0.000000    
 H    3.320500       1.726100       1.416200    
 H   0.7065000      -2.971200     -0.5463000    
 H   -2.787500      0.4151000      -1.459500    
 H   -2.865000       3.763700       1.258300    
 H  -0.6241000      -4.719400      0.1287000    
 H   -1.527300      -3.643300       1.245700    
 H    6.276300      -1.526700     -0.8879000    
 H    5.502800       2.458100      0.5217000    
 H    6.985100      0.8367000     -0.6309000    
 H   -4.278900     -0.8373000      5.0500002E-02
 H   -4.369400       2.500200       2.755800    
 H   -5.078800      0.1993000       2.157800    
 H   -2.757700      -2.544700      -2.296400    


%chk=000150641-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150641

0 1
O 0.312091 -0.554209 -2.624784
O -0.200796 -2.896355 1.242572
O -3.060854 -2.032091 -1.343530
O -3.625720 -4.137979 -2.139437
N 0.590294 0.047580 -0.399603
N -0.313636 2.078660 -3.394694
N -0.385760 -2.764043 -1.081447
C 1.197335 -1.233960 0.026539
C 1.925191 -1.057400 1.380712
C -0.377076 1.726051 -1.968152
C -1.867034 1.784516 -1.471153
C 0.214699 0.318433 -1.688179
C 2.974574 0.044435 1.356303
C 0.131470 -2.370192 0.135978
C -2.020935 1.818786 0.042345
C 4.190016 -0.123891 0.642738
C 2.754152 1.269755 2.036197
C -2.363926 0.654952 0.780600
C -1.790590 3.028391 0.751891
C -1.391047 -3.813829 -1.164894
C 5.156578 0.904713 0.605384
C 3.718693 2.303714 2.000934
C 4.923127 2.124891 1.283466
C -2.470942 0.699197 2.190150
C -1.897933 3.076043 2.160235
C -2.238515 1.909002 2.885238
C -2.784046 -3.380887 -1.612235
H 1.914661 -1.524495 -0.766161
H 1.165985 -0.865067 2.160506
H 2.379074 -2.031514 1.636134
H 0.197039 2.483536 -1.401030
H 0.426860 0.755149 0.321534
H -2.275641 2.703731 -1.927858
H -2.412706 0.923788 -1.902517
H -0.662852 1.307100 -3.980363
H 0.636889 2.329282 -3.694201
H 4.383885 -1.069492 0.120111
H 1.828391 1.409555 2.610313
H -0.120500 -2.201215 -1.913751
H -2.534072 -0.289430 0.250020
H -1.539691 3.939981 0.194085
H -1.079377 -4.623205 -1.849061
H -1.487371 -4.251789 -0.150530
H 6.091705 0.755440 0.053781
H 3.532687 3.241725 2.536217
H 5.673964 2.922445 1.257464
H -2.730236 -0.211278 2.741739
H -1.725685 4.020072 2.689822
H -2.325897 1.943768 3.976998
H -3.994223 -1.837372 -1.633425


