%chk=000156618.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156618

0 1
 O   -1.275100       3.101400     -4.2399999E-02
 O   -1.967100      -1.531000     -2.3000000E-02
 O    2.452200       1.237900       1.225500    
 O   -2.257800      -3.798500     -1.3400000E-02
 N    4.231900     -0.6945000      0.3830000    
 N   0.7338000      0.1478000      4.1499998E-02
 C    4.505300      0.2098000     -0.7427000    
 C    5.033100      -1.922600      0.2845000    
 C    5.984200      0.5968000     -0.7933000    
 C    6.529200      -1.605500      0.2674000    
 C    6.878000     -0.6363000     -0.8566000    
 C    2.806700      -1.017200      0.4457000    
 C    2.006600      0.2605000      0.6328000    
 C  -0.2677000       1.090200      3.5999999E-03
 C   -1.671400      0.8781000     -3.5300002E-02
 C   -2.243500       2.143500     -6.2399998E-02
 C   -2.530400     -0.2356000     -5.0500002E-02
 C  -8.1699997E-02   2.453200     -2.3000001E-03
 C   -3.923500     -6.4999998E-02 -9.2299998E-02
 C   -3.614900       2.373900     -0.1041000    
 C   -4.441900       1.241300     -0.1185000    
 C   -4.777000      -1.264700     -0.1064000    
 C    1.113800       3.310100      2.5200000E-02
 C   -4.204300      -2.476300     -7.9400003E-02
 C   -2.747600      -2.675000     -3.6499999E-02
 C   -6.271000      -1.122100     -0.1499000    
 H    3.944300       1.146700     -0.6774000    
 H    4.222100     -0.2626000      -1.693300    
 H    4.767700      -2.491600     -0.6163000    
 H    4.830900      -2.567600       1.148200    
 H    6.239800       1.189500      9.4300002E-02
 H    6.171400       1.231900      -1.666700    
 H    6.823200      -1.169000       1.230500    
 H    7.102600      -2.531700      0.1480000    
 H    7.930900     -0.3421000     -0.7868000    
 H    6.745700      -1.135300      -1.824500    
 H    2.479600      -1.547400     -0.4575000    
 H    2.592900      -1.653600       1.312800    
 H   0.4288000     -0.7921000     -0.2019000    
 H   -4.027100       3.376000     -0.1245000    
 H   -5.515700       1.414000     -0.1510000    
 H   0.8846000       4.295500     -0.3967000    
 H    1.925600       2.896400     -0.5795000    
 H    1.456700       3.475300       1.050300    
 H   -4.807300      -3.379300     -8.8799998E-02
 H   -6.635700     -0.5764000      0.7269000    
 H   -6.775000      -2.095200     -0.1556000    
 H   -6.585300     -0.5921000      -1.055300    


%chk=000156618-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156618

0 1
O -1.620268 3.531856 0.477472
O -1.347811 -1.126086 0.094962
O 2.741171 2.026602 0.836330
O -1.053040 -3.411334 -0.038935
N 4.155972 -0.531564 0.338202
N 0.791593 0.724765 0.775262
C 3.903123 -0.587980 -1.122767
C 5.024515 -1.637905 0.809519
C 5.225704 -0.556904 -1.913890
C 6.377001 -1.629769 0.069192
C 6.163987 -1.698030 -1.460134
C 2.920033 -0.428029 1.122670
C 2.170284 0.901408 0.886180
C -0.232978 1.687061 0.620985
C -1.573567 1.253404 0.250006
C -2.387208 2.408562 0.168481
C -2.166754 0.002119 -0.015224
C -0.279977 3.075498 0.767431
C -3.544051 -0.086747 -0.368125
C -3.752502 2.382539 -0.175522
C -4.314252 1.122659 -0.442965
C -4.091712 -1.414756 -0.632982
C 0.643365 4.170846 1.176027
C -3.271729 -2.527624 -0.529072
C -1.866458 -2.476990 -0.163291
C -5.545667 -1.572599 -1.018702
H 3.281456 0.282778 -1.400974
H 3.329313 -1.515026 -1.394460
H 4.531885 -2.636310 0.657382
H 5.185911 -1.512870 1.897286
H 5.717692 0.419091 -1.740236
H 5.006252 -0.636702 -2.995984
H 6.915691 -0.697198 0.325250
H 6.991067 -2.482097 0.418705
H 7.134127 -1.635889 -1.988537
H 5.712132 -2.676501 -1.726735
H 2.219082 -1.288858 0.942270
H 3.187869 -0.458437 2.197701
H 0.453980 -0.244260 0.710347
H -4.341494 3.301118 -0.228793
H -5.372221 1.060704 -0.713294
H 0.522230 5.042000 0.507124
H 1.681805 3.811106 1.134250
H 0.422504 4.511173 2.206334
H -3.660330 -3.530920 -0.723617
H -6.212345 -1.179236 -0.228536
H -5.800037 -2.631259 -1.185679
H -5.774745 -1.013910 -1.945513


