%chk=000150801.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150801

0 1
 O  -0.2160000       2.811000      0.2891000    
 O   0.4192000      -3.391700      0.4030000    
 O    2.517000      -2.858300      3.7900001E-02
 N   -3.078000      5.2999998E-03 -9.6199997E-02
 N    2.422400       2.206900     -0.1263000    
 N    1.320400      -2.541400      0.2246000    
 C   -2.195200      0.8328000      0.6847000    
 C  -0.7576000      0.4961000      0.4598000    
 C   -2.818600      0.1583000      -1.535400    
 C   -4.487600      0.3147000      0.1859000    
 C   0.1904000       1.504100      0.2671000    
 C  -0.3675000     -0.8372000      0.4429000    
 C    1.534900       1.210900      5.5799998E-02
 C    1.923800     -0.1449000      4.0100001E-02
 C   0.9705000      -1.159000      0.2336000    
 C   -3.751000     -0.7155000      -2.357200    
 C   -4.817300      8.5800000E-02   1.651200    
 C    3.277100     -0.4406000     -0.1722000    
 C    4.194000      0.5836000     -0.3601000    
 C    3.719100       1.879100     -0.3284000    
 H   -2.348700      0.6886000       1.760700    
 H   -2.398000       1.892100      0.4837000    
 H   -2.927200       1.203300      -1.853700    
 H   -1.800200     -0.1511000      -1.792500    
 H   -4.745500       1.342600     -9.8800004E-02
 H   -5.154500     -0.3592000     -0.3604000    
 H   -1.115100      -1.608100      0.6125000    
 H   -3.802100      -1.738000      -1.967600    
 H   -4.762600     -0.3038000      -2.426900    
 H   -3.375700     -0.7803000      -3.385100    
 H   -4.457300     -0.8880000       2.000700    
 H   -4.409900      0.8686000       2.298300    
 H   -5.904300      0.1010000       1.790100    
 H    3.775600      -1.392100     -0.2196000    
 H    5.245200      0.3773000     -0.5258000    
 H   0.5610000       3.377300      0.1401000    
 H    4.389400       2.720700     -0.4690000    


%chk=000150801-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150801

0 1
O 0.110440 3.030817 0.288292
O -0.047998 -3.286460 -0.195099
O 2.213530 -3.065099 -0.120027
N -3.189067 0.240479 -0.222857
N 2.597143 2.226003 0.168327
N 1.017870 -2.556301 -0.111708
C -2.216022 1.248363 0.251748
C -0.774057 0.765215 0.155753
C -3.244983 0.178969 -1.712334
C -4.525867 0.381983 0.415177
C 0.299044 1.670759 0.190614
C -0.456508 -0.612622 0.059740
C 1.664979 1.206352 0.126797
C 1.989938 -0.192651 0.030698
C 0.862888 -1.095482 -0.004221
C -3.768100 -1.168827 -2.242870
C -4.552368 -0.120742 1.871169
C 3.392913 -0.500353 -0.024508
C 4.331615 0.538230 0.017286
C 3.900840 1.895528 0.114057
H -2.433415 1.477879 1.312573
H -2.303693 2.221401 -0.289132
H -3.857277 1.018994 -2.126866
H -2.214944 0.327826 -2.087180
H -4.888446 1.440081 0.370019
H -5.241329 -0.218185 -0.174421
H -1.291286 -1.319306 0.032948
H -3.135771 -1.996881 -1.877405
H -4.807123 -1.367167 -1.924681
H -3.752528 -1.176396 -3.348478
H -4.243722 -1.179620 1.912464
H -3.874483 0.457205 2.525830
H -5.571858 -0.031510 2.290346
H 3.705541 -1.541993 -0.095772
H 5.402063 0.316332 -0.022936
H 1.049022 3.420360 0.285456
H 4.623117 2.717722 0.147802


