%chk=000161375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161375

0 1
 O    4.390800      0.8046000      0.1485000    
 O   -6.460900      0.1772000      -1.049600    
 O    5.622800      5.2999999E-02  -1.538200    
 O    6.645800      0.6138000      0.3619000    
 N    5.670800      0.4639000     -0.3782000    
 C  -0.2646000     -0.8775000      0.3255000    
 C   -1.002300      0.3983000     -0.1963000    
 C    1.170600     -0.8662000     -0.2113000    
 C    1.964800      0.3745000      0.2411000    
 C   -2.506300      0.4410000      0.2704000    
 C   -3.185500     -0.8853000     -0.2042000    
 C  -0.2018000       1.695500      9.8399997E-02
 C    1.274100       1.617500     -0.3338000    
 C   -1.006700      -2.155400     -8.8000000E-02
 C    3.329000      4.3699998E-02 -0.3941000    
 C    2.101200      -2.027900      0.1276000    
 C   -2.474100      -2.133800      0.3295000    
 C    3.510700      -1.463100     -0.1259000    
 C   -3.255700       1.614400     -0.4242000    
 C    2.108500      0.5266000       1.777000    
 C   -2.603800      0.6286000       1.804900    
 C   -4.684200     -0.9388000      0.1046000    
 C   -4.762800       1.621300     -0.1782000    
 C   -5.380600      0.2741000     -0.4677000    
 H  -0.2317000     -0.8624000       1.419800    
 H   -1.022200      0.3147000      -1.294900    
 H    1.095800     -0.8496000      -1.311800    
 H   -3.096900     -0.9169000      -1.301900    
 H  -0.2476000       1.939200       1.164000    
 H  -0.6553000       2.541100     -0.4302000    
 H    1.313500       1.597500      -1.430700    
 H    1.797900       2.529700     -2.3700001E-02
 H  -0.5254000      -3.032600      0.3599000    
 H  -0.9458000      -2.284600      -1.176300    
 H    3.255800      0.2253000      -1.476400    
 H    1.905500      -2.905600     -0.4969000    
 H    1.995200      -2.335000       1.174000    
 H   -2.962800      -3.035100     -6.0400002E-02
 H   -2.552100      -2.187600       1.421600    
 H    4.160100      -1.662200      0.7343000    
 H    3.963500      -1.958100     -0.9923000    
 H   -3.082100       1.558700      -1.507300    
 H   -2.855400       2.579600     -9.3400002E-02
 H    2.672300       1.434000       2.023100    
 H    1.144800      0.6050000       2.287000    
 H    2.640600     -0.3147000       2.232300    
 H   -2.219300       1.607300       2.110100    
 H   -3.634700      0.5781000       2.166400    
 H   -2.043400     -0.1293000       2.357800    
 H   -4.887400     -0.9870000       1.178800    
 H   -5.124200      -1.832300     -0.3540000    
 H   -5.231400       2.369200     -0.8274000    
 H   -4.997200       1.890200      0.8566000    


%chk=000161375-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161375

0 1
O 4.409739 0.806158 0.206309
O -6.469863 0.272016 -1.246719
O 5.716958 0.076390 -1.649951
O 6.592369 1.508944 -0.086453
N 5.695750 0.786351 -0.594897
C -0.283627 -0.921361 0.366400
C -1.000719 0.369250 -0.160473
C 1.166896 -0.930612 -0.158299
C 1.985877 0.327311 0.280436
C -2.513539 0.440659 0.288325
C -3.210349 -0.874245 -0.218089
C -0.187229 1.658251 0.158068
C 1.295450 1.582586 -0.298282
C -1.044561 -2.198586 -0.065515
C 3.343391 -0.055166 -0.377176
C 2.096554 -2.128320 0.177731
C -2.536185 -2.151881 0.328583
C 3.539511 -1.575526 -0.090026
C -3.215366 1.638411 -0.425640
C 2.155730 0.447383 1.819370
C -2.637302 0.611051 1.827989
C -4.742682 -0.885135 0.039765
C -4.755742 1.681249 -0.220933
C -5.427797 0.348414 -0.541331
H -0.257181 -0.897751 1.476031
H -1.018673 0.271363 -1.273008
H 1.093361 -0.881131 -1.270617
H -3.070151 -0.885628 -1.323445
H -0.222323 1.869275 1.243832
H -0.657813 2.525617 -0.341067
H 1.333400 1.540057 -1.407451
H 1.828773 2.502672 0.009278
H -0.561813 -3.090743 0.378116
H -0.964881 -2.308205 -1.168595
H 3.309730 0.143673 -1.465146
H 1.874986 -3.014182 -0.441703
H 1.978985 -2.431670 1.234974
H -3.059549 -3.043839 -0.069498
H -2.641516 -2.192945 1.431765
H 4.194092 -1.702835 0.791112
H 4.030960 -2.074649 -0.940868
H -3.001216 1.579862 -1.512936
H -2.794314 2.596763 -0.068625
H 2.791916 1.316683 2.059537
H 1.186115 0.585526 2.325200
H 2.637135 -0.444948 2.255745
H -2.236688 1.590183 2.146911
H -3.688437 0.567512 2.163176
H -2.089409 -0.169917 2.382822
H -4.936195 -0.915322 1.132546
H -5.207206 -1.786689 -0.398689
H -5.218515 2.469755 -0.839811
H -4.976938 1.924518 0.839020


