%chk=000148974.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148974

0 1
 O   -4.785400       2.718900      0.5968000    
 O    3.777000     -0.9197000      0.4531000    
 O   -2.368900      0.2173000      -2.411600    
 N   -2.505800     -0.5628000     -0.2215000    
 N   -3.491900       1.480700     -0.8598000    
 C   -4.131600      0.5131000       1.293300    
 C   -2.805100     -0.2246000       1.164100    
 C   -1.725000      -1.765100     -0.4655000    
 C   -4.159500       1.691100      0.3426000    
 C   -5.328500     -0.3947000       1.019000    
 C   -2.750400      0.3563000      -1.247400    
 C  -0.2567000      -1.539600     -0.2205000    
 C   0.2669000      -1.764100       1.044700    
 C   0.5517000      -1.110400      -1.263600    
 C    2.449900      -1.123800      0.2310000    
 C    1.627200      -1.555000       1.271700    
 C    1.912100     -0.9014000      -1.036700    
 C    5.574900      0.6688000      0.4634000    
 C    4.421500      7.9300001E-02 -0.3359000    
 C    6.302000       1.759900     -0.3176000    
 C    7.425800       2.375700      0.5004000    
 H   -4.212700      0.9035000       2.315100    
 H   -1.986600      0.4121000       1.521600    
 H   -2.822300      -1.135500       1.772700    
 H   -1.875800      -2.085800      -1.503900    
 H   -2.111200      -2.578900      0.1601000    
 H   -5.321100     -0.7871000     -3.5999999E-03
 H   -5.339100      -1.243800       1.710200    
 H   -6.266700      0.1564000       1.147200    
 H   -3.585100       2.214900      -1.556400    
 H  -0.3635000      -2.102200       1.862200    
 H   0.1478000     -0.9436000      -2.257800    
 H    6.273300     -0.1309000      0.7400000    
 H    5.190900       1.071300       1.409200    
 H    2.040500      -1.730000       2.261200    
 H    2.522100     -0.5931000      -1.880600    
 H    3.734200      0.8971000     -0.5890000    
 H    4.797300     -0.3806000      -1.257200    
 H    5.595900       2.547900     -0.6042000    
 H    6.715500       1.342500      -1.243100    
 H    7.039200       2.832600       1.417000    
 H    8.167400       1.620200      0.7791000    
 H    7.933900       3.153200     -7.8400001E-02


%chk=000148974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148974

0 1
O -5.495156 2.386597 0.121018
O 3.675619 -0.292468 0.792361
O -2.779327 -0.211510 -2.618597
N -2.723716 -0.662500 -0.309455
N -4.025563 1.124624 -1.164136
C -4.389334 0.447577 1.180359
C -2.958694 -0.117558 1.046016
C -1.752303 -1.774011 -0.480926
C -4.688908 1.421630 0.036283
C -5.474028 -0.663033 1.210723
C -3.132284 0.041167 -1.427818
C -0.313765 -1.376582 -0.168641
C 0.332604 -1.827099 1.011459
C 0.407364 -0.537685 -1.053864
C 2.364067 -0.608733 0.411792
C 1.657459 -1.452549 1.304659
C 1.735181 -0.148641 -0.774790
C 5.845023 0.746465 0.539125
C 4.466615 0.576094 -0.102153
C 6.776465 1.639963 -0.313222
C 8.172514 1.807946 0.323895
H -4.455576 1.034292 2.113889
H -2.208849 0.666643 1.278324
H -2.813094 -0.937235 1.772156
H -1.846917 -2.102389 -1.530202
H -2.072029 -2.604323 0.176605
H -5.411761 -1.307298 0.315596
H -5.341185 -1.298759 2.104698
H -6.482216 -0.216884 1.250813
H -4.262174 1.689396 -1.986193
H -0.203057 -2.486755 1.706263
H -0.078297 -0.190770 -1.973819
H 6.302582 -0.252023 0.676378
H 5.721127 1.184813 1.547941
H 2.165019 -1.799749 2.209752
H 2.265521 0.496516 -1.481076
H 3.955489 1.555321 -0.215620
H 4.549449 0.101317 -1.102453
H 6.310591 2.637185 -0.450204
H 6.883780 1.202342 -1.326791
H 8.098045 2.270843 1.325691
H 8.673709 0.829208 0.443041
H 8.824108 2.448716 -0.297479


