%chk=000158089.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158089

0 1
 O    1.283900      -1.059800       1.914200    
 O   -2.127400       2.630400      0.1348000    
 O   -4.233100       1.484000      0.2031000    
 O    4.097700      0.3518000      0.5197000    
 N   0.2598000      -3.079900      4.1900001E-02
 C   0.4395000      -1.648100     -0.3164000    
 C  -0.8478000     -0.8229000     -0.1767000    
 C    1.561800     -0.9773000      0.5183000    
 C   -2.105100      -1.479500     -0.1356000    
 C  -0.7578000      0.5970000     -0.1350000    
 C  -0.9062000      -3.632300     -0.6640000    
 C   -2.184500      -2.981200     -0.1473000    
 C    1.715400      0.4822000      0.1529000    
 C   0.5744000       1.243000     -0.1879000    
 C   -1.964700       1.280900      1.5000000E-03
 C   -3.284600     -0.7387000     -1.1900000E-02
 C   -3.181000      0.6316000      5.6800000E-02
 C    1.441800      -3.884800     -0.2848000    
 C    2.992800       1.066200      0.1593000    
 C   0.7786000       2.577900     -0.5790000    
 C    3.159900       2.397500     -0.2058000    
 C    2.054800       3.149500     -0.5842000    
 C   -3.556200       2.750700      0.2452000    
 C    4.788100     -0.3383000     -0.5191000    
 H   0.7140000      -1.586100      -1.381200    
 H    2.499200      -1.508100      0.3436000    
 H  -0.9892000      -4.712300     -0.4889000    
 H  -0.8118000      -3.487700      -1.748900    
 H   -2.384400      -3.322100      0.8767000    
 H   -3.023000      -3.304900     -0.7758000    
 H   -4.252000      -1.227100      4.4100001E-02
 H    2.297000      -3.615200      0.3413000    
 H    1.729900      -3.788600      -1.337800    
 H    1.255000      -4.945400     -7.8699999E-02
 H  -4.5200001E-02   3.205300     -0.9062000    
 H    1.926300     -0.5036000       2.387100    
 H    4.146700       2.851700     -0.2064000    
 H    2.181300       4.185200     -0.8869000    
 H   -3.921800       3.374000     -0.5789000    
 H   -3.794900       3.246800       1.192900    
 H    5.433600      -1.092300     -6.0400002E-02
 H    5.414000      0.3665000      -1.075200    
 H    4.098400     -0.8380000      -1.207200    


%chk=000158089-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158089

0 1
O 1.437574 -1.342817 1.708639
O -2.104116 2.687577 -0.120963
O -4.241494 1.672155 0.189032
O 4.047680 -0.047670 0.094781
N 0.055353 -3.204365 -0.037238
C 0.276104 -1.792983 -0.416852
C -0.965056 -0.927149 -0.184855
C 1.533912 -1.189586 0.238368
C -2.240377 -1.515246 -0.005313
C -0.793043 0.501779 -0.234158
C -1.194398 -3.727856 -0.624493
C -2.390781 -3.028013 0.038959
C 1.692061 0.268366 -0.159543
C 0.556534 1.094273 -0.392561
C -1.964452 1.265750 -0.084099
C -3.402394 -0.703698 0.141976
C -3.228816 0.675516 0.104300
C 1.225407 -4.071958 -0.246120
C 2.993901 0.834595 -0.233601
C 0.751453 2.460515 -0.745199
C 3.187787 2.188282 -0.590705
C 2.050993 2.987401 -0.849993
C -3.496656 2.943177 0.328096
C 5.416973 0.458098 -0.018248
H 0.501875 -1.728652 -1.524105
H 2.424166 -1.738806 -0.120078
H -1.242585 -4.815490 -0.434901
H -1.234588 -3.579937 -1.736568
H -2.445872 -3.360808 1.093618
H -3.334395 -3.330895 -0.455265
H -4.391458 -1.149796 0.277941
H 2.034596 -3.787439 0.446924
H 1.625879 -4.044735 -1.293005
H 0.942772 -5.114131 -0.016168
H -0.112169 3.101302 -0.930347
H 2.256065 -0.932873 2.091269
H 4.189184 2.621733 -0.664002
H 2.187297 4.037962 -1.129709
H -3.949010 3.702088 -0.327434
H -3.479907 3.242997 1.394483
H 6.061009 -0.390601 0.255851
H 5.594033 1.300707 0.678045
H 5.642156 0.779232 -1.053555


