%chk=000085441.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085441

0 1
 O   0.4903000       2.386100     -0.4990000    
 O   -1.312100      -1.431000      -2.625900    
 O   -3.991700       1.616000       1.819800    
 O   -3.618900      -2.275400      -1.822700    
 O    7.285400      -2.868400      0.1448000    
 O    8.023900      -1.010400       1.295600    
 N   -1.690400       2.628200       1.167600    
 C   -2.687600      0.6392000      9.7099997E-02
 C   -2.593700     -0.3791000     -0.8539000    
 C   -1.653300       1.574400      0.2230000    
 C   -4.955200     -0.2556000      0.8316000    
 C   -4.861300      -1.274300     -0.1191000    
 C   -3.872000      0.7385000      0.9741000    
 C   -3.677200      -1.373100     -0.9967000    
 C  -0.5310000       1.487900     -0.6013000    
 C   -1.465900     -0.4619000      -1.679300    
 C  -0.4375000      0.4720000      -1.550500    
 C    4.245400      0.9024000      0.4687000    
 C    1.745800       1.896100     -0.1870000    
 C    2.801000       2.089300      -1.061700    
 C    5.591700      0.3672000      0.8221000    
 C    4.060500       1.588700     -0.7316000    
 C   -6.082600     -0.1735000       1.657700    
 C   -5.894500      -2.210700     -0.2435000    
 C    3.171000      0.7166000       1.338700    
 C    1.911700       1.217200       1.008300    
 C    5.801200      -1.063600      0.3096000    
 C   -7.109900      -1.108800       1.530400    
 C   -7.016000      -2.125300      0.5819000    
 C    2.620600       2.820300      -2.350900    
 C    7.168100      -1.607600      0.6576000    
 C    8.534300      -3.521500      0.3945000    
 H   0.4317000      0.4097000      -2.200600    
 H    5.729700      0.3969000       1.911200    
 H    6.371900       1.026100      0.4183000    
 H    4.899500       1.728600      -1.409200    
 H   -6.182200      0.6083000       2.405900    
 H   -5.846900      -3.013300     -0.9745000    
 H    3.302400      0.1842000       2.277000    
 H    1.088100       1.073500       1.701400    
 H    5.048500      -1.729900      0.7474000    
 H    5.694300      -1.085700     -0.7815000    
 H   -7.984200      -1.044600       2.171700    
 H   -7.817200      -2.852200      0.4849000    
 H  -0.9154000       3.276600       1.221100    
 H   -2.475300       2.740600       1.792600    
 H    3.580500       3.047400      -2.827200    
 H    2.033100       2.217900      -3.050700    
 H    2.111300       3.775500      -2.184800    
 H  -0.4630000      -1.309400      -3.084000    
 H    9.354500      -2.955500     -5.7300001E-02
 H    8.497200      -4.512900     -6.4700000E-02
 H    8.691800      -3.638700       1.470900    


%chk=000085441-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085441

0 1
O 0.506669 1.753502 1.089761
O -1.105116 -2.541130 -0.647709
O -4.517602 2.338145 0.875842
O -3.714559 -2.816185 -0.977084
O 7.928919 -2.596819 -0.709472
O 8.737790 -0.468672 -0.214140
N -1.978822 2.693385 1.227365
C -2.931404 0.581432 0.357131
C -2.705913 -0.769008 -0.127760
C -1.831059 1.412222 0.761077
C -5.437342 0.289435 0.030607
C -5.226344 -1.033693 -0.442877
C -4.292110 1.137199 0.446703
C -3.850671 -1.624809 -0.544391
C -0.502132 0.867825 0.666877
C -1.369545 -1.247774 -0.191298
C -0.275366 -0.423574 0.205328
C 4.628796 0.777863 0.729481
C 1.880838 1.372735 0.933813
C 2.528967 1.616618 -0.304341
C 6.103902 0.432157 0.592051
C 3.908921 1.306690 -0.373650
C -6.754640 0.811566 0.109071
C -6.338074 -1.822191 -0.832682
C 3.936764 0.562350 1.947662
C 2.560223 0.860450 2.053651
C 6.306984 -0.944928 -0.088424
C -7.852446 0.022329 -0.280266
C -7.643111 -1.300224 -0.752954
C 1.777330 2.202804 -1.482155
C 7.775624 -1.262081 -0.324529
C 9.319076 -3.025809 -1.006194
H 0.751189 -0.806855 0.155215
H 6.591257 0.418044 1.583449
H 6.632455 1.197997 -0.004114
H 4.440622 1.500740 -1.314286
H -6.881994 1.833786 0.477878
H -6.143150 -2.837102 -1.192948
H 4.475027 0.170387 2.818269
H 2.014584 0.713120 2.990843
H 5.857367 -1.759802 0.507714
H 5.792226 -0.968828 -1.069048
H -8.868510 0.427094 -0.218812
H -8.498487 -1.914175 -1.055563
H -1.151450 3.218144 1.504522
H -2.948061 3.047567 1.281553
H 2.461025 2.417941 -2.319775
H 0.994150 1.513058 -1.849390
H 1.264992 3.140610 -1.201258
H -0.129041 -2.718391 -0.618642
H 9.740699 -2.416845 -1.823395
H 9.229574 -4.080329 -1.301370
H 9.951379 -2.914972 -0.109434


