%chk=000163530.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000163530

0 1
 O    1.620300       3.656800       1.221000    
 O   0.3925000       1.990800      -1.137700    
 O   -2.985900       3.845800      -2.096300    
 O   -2.732900       4.066200      0.1481000    
 O   -4.834200      -3.169300      -1.593400    
 O    1.074900      -1.406400      0.7638000    
 O   -4.256500      -2.752000       1.918800    
 O    3.341500      0.2000000      -1.767300    
 O    5.833400     -0.7895000      -2.441800    
 N   -1.492200       1.599300      0.1580000    
 N    1.909000      0.7575000      0.7964000    
 N   -4.684700      -2.570200     -0.3328000    
 C   -2.465600       1.868500     -0.8697000    
 C   -3.770700       1.104600     -0.6460000    
 C   0.6863000       1.404900       1.198100    
 C   -3.563000     -0.4120000     -0.6231000    
 C   0.9301000       2.686800       2.007500    
 C  -0.1235000       1.684100     -6.4800002E-02
 C   -4.873500      -1.145700     -0.3626000    
 C   -2.719200       3.363200     -0.8542000    
 C    1.758000       2.428800       3.260600    
 C    2.001700     -0.6152000      0.6103000    
 C    3.339500      -1.131000      0.2215000    
 C   -4.388900      -3.272000      0.8100000    
 C    3.959400     -0.7027000     -0.9524000    
 C    3.976700      -2.055000       1.049700    
 C   -4.235700      -4.763500      0.6433000    
 C    5.216400      -1.198800      -1.298400    
 C    5.233500      -2.551100      0.7038000    
 C    5.853400      -2.123000     -0.4702000    
 H   -2.025100       1.599800      -1.837400    
 H   -4.226200       1.420800      0.3020000    
 H   -4.487100       1.365900      -1.435200    
 H   0.1261000      0.6963000       1.821800    
 H   -3.137300     -0.7383000      -1.580100    
 H   -2.837300     -0.6866000      0.1520000    
 H  -3.4299999E-02   3.125600       2.289000    
 H   -1.829000       1.425000       1.100700    
 H   -5.277200     -0.8252000      0.6050000    
 H   -5.617400     -0.9035000      -1.130400    
 H    2.722200       1.339300      0.6141000    
 H    2.777000       2.112000       3.013600    
 H    1.293400       1.667100       3.893900    
 H    1.856100       3.349600       3.846300    
 H    1.715900       4.459900       1.761000    
 H   -3.172000       4.808800      -2.081800    
 H    3.505400      -2.394900       1.968300    
 H   -3.929800      -3.080200      -1.939300    
 H   -3.419800      -4.976900     -5.2600000E-02
 H   -5.166700      -5.191800      0.2621000    
 H   -4.005000      -5.221800       1.609000    
 H    5.729800      -3.270200       1.348800    
 H    6.832700      -2.517700     -0.7272000    
 H    2.452500      0.4066000      -1.437100    
 H    6.693300      -1.237900      -2.515900    


%chk=000163530-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163530

0 1
O 2.343611 3.114845 0.961248
O 0.233813 1.446605 -1.088394
O -3.886045 4.070274 -1.860669
O -3.212719 4.480615 0.328082
O -1.657925 -2.839852 -0.158674
O 0.103651 -1.234660 1.112836
O -4.767910 -2.713200 1.686751
O 2.594309 0.326365 -1.711286
O 4.341006 -1.144850 -3.128478
N -1.401041 2.408759 0.231641
N 1.628262 0.504400 1.027472
N -2.934929 -2.355994 0.317832
C -2.395078 2.474545 -0.851799
C -3.387718 1.253234 -0.808704
C 0.627587 1.515812 1.360348
C -2.635995 -0.083366 -0.633724
C 1.305744 2.773456 1.952818
C -0.182020 1.815841 0.059950
C -3.565408 -1.312903 -0.507542
C -3.170061 3.776630 -0.706844
C 1.902413 2.525837 3.347721
C 1.233307 -0.779819 0.700707
C 2.171417 -1.569471 -0.145155
C -3.590139 -3.045905 1.331333
C 2.805056 -0.970465 -1.280077
C 2.381305 -2.940802 0.166644
C -2.798515 -4.172828 1.980338
C 3.721378 -1.767265 -2.036490
C 3.274469 -3.708458 -0.596204
C 3.952104 -3.114238 -1.689157
H -1.847836 2.457956 -1.809629
H -4.099716 1.388616 0.030760
H -3.976211 1.270906 -1.744529
H -0.075049 1.096035 2.102788
H -1.919515 -0.229523 -1.461618
H -2.040669 -0.037866 0.295290
H 0.551682 3.588121 2.005987
H -1.702717 2.736667 1.153964
H -4.510504 -1.067284 0.009932
H -3.816310 -1.724794 -1.505011
H 2.513724 0.871723 0.658135
H 2.635137 1.701596 3.317378
H 1.112900 2.263112 4.075218
H 2.410363 3.434384 3.721645
H 2.874904 3.889054 1.271619
H -4.425966 4.896307 -1.728248
H 1.846061 -3.374771 1.016899
H -0.946176 -2.288801 0.331001
H -1.902805 -3.780669 2.495368
H -2.446972 -4.892911 1.222276
H -3.450950 -4.673230 2.711219
H 3.450885 -4.760411 -0.353017
H 4.650863 -3.711911 -2.289843
H 1.696031 0.735787 -1.438131
H 4.925215 -1.789632 -3.601175


