%chk=000110863.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110863

0 1
 O   -5.980900      -1.343500     -0.6202000    
 O    1.859900      0.9852000      -1.573500    
 O  -0.2134000       3.811800     -0.5747000    
 O   -1.435300      -3.168600      4.7899999E-02
 O  -0.2067000      -1.473900      0.7095000    
 N    2.713300      0.3967000      0.5333000    
 N  -0.5001000       1.229300      3.7000000E-03
 N   -1.127500      0.8123000      0.9990000    
 N   -1.304000      -1.957900      0.3447000    
 C   0.7807000       1.828500      0.3873000    
 C    1.842000       1.028600     -0.3460000    
 C   -2.346200      0.2487000      0.5853000    
 C   0.7481000       3.294100     -7.0000002E-03
 C    3.817300     -0.4280000      0.2084000    
 C   -2.439000      -1.103800      0.2645000    
 C   -3.469600       1.068400      0.5022000    
 C   -3.661200      -1.639400     -0.1415000    
 C   -4.787800     -0.8212000     -0.2256000    
 C   -4.691900      0.5326000      9.6299998E-02
 C    4.574200     -0.9792000       1.228500    
 C    4.115300     -0.6662000      -1.122700    
 C    1.966100       4.110900      0.3456000    
 C    5.661200      -1.792600      0.9082000    
 C    5.202200      -1.479700      -1.443100    
 C    5.975100      -2.042800     -0.4275000    
 C   -7.092000     -0.4505000     -0.6826000    
 H   0.9314000       1.794900       1.474400    
 H    2.558600      0.5268000       1.530400    
 H   -3.404600       2.124300      0.7521000    
 H   -3.771100      -2.690200     -0.3992000    
 H   -5.526200       1.224400      5.3399999E-02
 H    4.338000     -0.7909000       2.272100    
 H    3.568800     -0.2677000      -1.964300    
 H    1.788500       5.161100      9.7599998E-02
 H    2.828600       3.755400     -0.2228000    
 H    2.162100       4.033900       1.418000    
 H    6.263000      -2.231200       1.698800    
 H    5.448200      -1.675200      -2.482800    
 H    6.821400      -2.676100     -0.6769000    
 H   -7.338600     -4.5499999E-02  0.3047000    
 H   -7.957300      -1.033800      -1.014000    
 H   -6.933700      0.3374000      -1.427000    


%chk=000110863-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000110863

0 1
O -5.661373 -1.730591 -0.150590
O 3.063045 2.405518 -0.786227
O -0.336445 4.403912 -0.103488
O -1.518657 -2.862915 2.353971
O 0.079226 -1.566798 1.374828
N 2.295348 0.413235 0.200589
N -0.260805 1.718283 -0.044382
N -0.743430 0.874907 0.815518
N -1.160236 -1.891121 1.586207
C 0.929223 2.424694 0.509358
C 2.215104 1.757613 -0.107521
C -1.934199 0.201398 0.420270
C 0.777972 3.943902 0.253790
C 3.329101 -0.509200 -0.154141
C -2.209263 -1.112684 0.903312
C -2.958341 0.868637 -0.298421
C -3.454021 -1.730494 0.708763
C -4.462394 -1.040003 -0.005527
C -4.206952 0.262283 -0.519025
C 3.189515 -1.842955 0.318645
C 4.458418 -0.146960 -0.936106
C 1.975478 4.820820 0.542072
C 4.172164 -2.804207 0.010898
C 5.431810 -1.125363 -1.234031
C 5.300518 -2.452824 -0.767046
C -6.745952 -1.082901 -0.903007
H 0.989869 2.275917 1.612291
H 1.507820 0.004051 0.723850
H -2.749976 1.881725 -0.658038
H -3.638074 -2.738640 1.086974
H -4.972825 0.805539 -1.079309
H 2.316558 -2.122847 0.918734
H 4.561618 0.877516 -1.296706
H 1.677269 5.879948 0.510706
H 2.758502 4.613753 -0.210409
H 2.418268 4.580646 1.527360
H 4.054931 -3.828830 0.380428
H 6.300970 -0.841898 -1.838208
H 6.063731 -3.201780 -1.004089
H -7.059315 -0.140219 -0.416073
H -7.573451 -1.805557 -0.882519
H -6.443849 -0.888111 -1.949203


