%chk=000148562.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148562

0 1
 O   6.6100001E-02  -2.493500      0.5204000    
 O   -2.471100      0.4798000      -2.194700    
 O    4.069700      -1.801100      0.4751000    
 N   -1.406100     -0.4247000     -0.3434000    
 N    1.748600      -2.121700      -1.034300    
 N    3.157100       2.164300      0.1290000    
 N    3.858500      -3.978000       1.184200    
 N    3.761800       4.408700      0.7347000    
 N    5.198100       3.095900     -0.4521000    
 C  -0.1083000     -0.5735000     -0.9495000    
 C   0.7494000      0.6872000     -0.7843000    
 C    1.042700       1.057200      0.6775000    
 C   0.5584000      -1.824600     -0.3859000    
 C    1.866100       2.336300      0.7974000    
 C   -2.495700      9.7800002E-02  -1.027700    
 C   -3.758700      0.2105000     -0.2535000    
 C    2.554200      -3.275000     -0.7056000    
 C   -4.702500       1.179100     -0.5958000    
 C   -4.001200     -0.6525000      0.8152000    
 C    3.553000      -2.909900      0.3682000    
 C    3.966100       3.177400      0.1531000    
 C   -5.888400       1.284900      0.1308000    
 C   -5.187300     -0.5466000       1.541700    
 C   -6.130800      0.4220000       1.199400    
 H  -0.2569000     -0.7475000      -2.023400    
 H   0.2312000       1.531100      -1.258500    
 H    1.693200      0.5647000      -1.327400    
 H   0.1037000       1.195300       1.225600    
 H    1.583900      0.2365000       1.163400    
 H   -1.480800     -0.6492000      0.6433000    
 H    1.307300       3.166200      0.3480000    
 H    2.015500       2.553100       1.862000    
 H    2.070500      -1.526500      -1.791200    
 H    1.903800      -4.092200     -0.3783000    
 H    3.096900      -3.582000      -1.604400    
 H   -4.530200       1.863500      -1.422200    
 H   -3.308300      -1.440400       1.095200    
 H   -6.622800       2.039500     -0.1350000    
 H   -5.380000      -1.223000       2.369500    
 H   -7.054900      0.5033000       1.764100    
 H    3.437000      -4.893800       1.067100    
 H    4.526900      -3.879400       1.941200    
 H    4.471800       5.131900      0.6902000    
 H    2.905300       4.640100       1.225200    
 H    5.845100       3.876900     -0.4454000    
 H    5.494200       2.249000     -0.9250000    


%chk=000148562-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000148562

0 1
O 0.330970 -2.264013 -0.510567
O -2.740418 1.294505 -1.685715
O 4.456483 -1.810002 1.260544
N -1.455655 -0.240394 -0.495248
N 2.102710 -0.793363 -0.931897
N 3.121465 1.533314 -0.071542
N 2.416452 -2.949977 1.303021
N 4.918868 3.050888 0.405983
N 5.318307 0.739999 0.291628
C -0.228478 -0.004946 -1.277171
C 0.296071 1.449286 -1.218649
C 0.704250 1.967647 0.187256
C 0.778611 -1.096884 -0.851761
C 2.116530 2.593407 0.188285
C -2.644166 0.408571 -0.771219
C -3.833031 0.013509 0.071250
C 3.090998 -1.879491 -0.792937
C -5.119800 0.372132 -0.405353
C -3.718686 -0.669269 1.311016
C 3.390109 -2.216507 0.682704
C 4.401071 1.769200 0.194649
C -6.274223 0.038539 0.332452
C -4.875095 -1.000721 2.051030
C -6.155763 -0.652407 1.562092
H -0.452222 -0.209819 -2.349640
H -0.493955 2.085539 -1.650893
H 1.162448 1.503291 -1.905817
H -0.024329 2.721993 0.537451
H 0.686857 1.146870 0.929960
H -1.458206 -1.136957 0.006098
H 2.148572 3.389122 -0.593114
H 2.306711 3.088138 1.166667
H 2.505897 0.216619 -0.699688
H 2.714136 -2.779154 -1.310679
H 4.033068 -1.552857 -1.260783
H -5.182351 0.917492 -1.352857
H -2.732909 -0.917179 1.721541
H -7.263947 0.316206 -0.046751
H -4.777537 -1.521850 3.009920
H -7.051986 -0.910402 2.137518
H 1.526932 -3.094813 0.794366
H 2.511745 -3.173308 2.294309
H 5.788903 3.186948 0.914553
H 4.369628 3.869599 0.160334
H 6.309863 0.932254 0.169231
H 5.027202 -0.213657 0.582320


