%chk=000050751.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050751

0 1
 O   -1.186900     -0.2050000     -0.2036000    
 O    4.961600      0.7155000     -0.2344000    
 O  -0.5821000      -2.375100     -0.6772000    
 N   -4.823600      0.3509000      2.2600001E-02
 N    4.444600      -1.955100      0.4837000    
 C   -3.397200      0.6716000      5.7100002E-02
 C   -5.623400       1.552500      0.2580000    
 C   -5.140700     -0.6764000       1.013900    
 C   -2.561700     -0.5657000     -0.2302000    
 C   -5.306700       2.631500     -0.7636000    
 C   -6.607700      -1.066300      0.9505000    
 C    1.095200     -0.7056000     -0.3870000    
 C  -0.3000000      -1.209900     -0.4443000    
 C    2.098600      -1.562100      1.7899999E-02
 C    3.409200      -1.087700      7.1900003E-02
 C    3.688000      0.2329000     -0.2804000    
 C    1.345300      0.6046000     -0.7403000    
 C    2.656000       1.079000     -0.6864000    
 C    5.203800       1.822300      0.6315000    
 C    6.627600       1.748000       1.140300    
 H   -3.098100       1.108000       1.019700    
 H   -3.123100       1.402700     -0.7115000    
 H   -5.478200       1.950500       1.270200    
 H   -6.689700       1.335200      0.1377000    
 H   -4.880900     -0.3624000       2.032500    
 H   -4.608300      -1.608200      0.8063000    
 H   -2.686400      -1.337500      0.5336000    
 H   -2.812200     -0.9802000      -1.214400    
 H   -4.352800       3.130000     -0.5656000    
 H   -5.300100       2.236800      -1.785500    
 H   -6.076600       3.410700     -0.7221000    
 H   -7.262100     -0.3055000       1.386900    
 H   -6.931100      -1.267900     -7.6499999E-02
 H   -6.769500      -1.983300       1.528600    
 H    1.879900      -2.590000      0.2953000    
 H   0.5625000       1.279000      -1.074200    
 H    2.859200       2.106800     -0.9748000    
 H    4.515400       1.813100       1.485800    
 H    5.057100       2.751300      7.0000000E-02
 H    5.395900      -1.614800      0.5307000    
 H    4.234900      -2.910300      0.7409000    
 H    7.336400       1.754300      0.3057000    
 H    6.791800      0.8152000       1.690000    
 H    6.851900       2.590800       1.800000    


%chk=000050751-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050751

0 1
O -1.245204 -0.027552 -0.019017
O 5.161702 0.416528 0.396060
O -0.657726 -2.187920 -0.668457
N -4.951252 0.453201 0.231721
N 4.532142 -2.058936 -0.369698
C -3.504618 0.755523 0.362334
C -5.786926 1.651441 -0.043100
C -5.470213 -0.382135 1.349525
C -2.673897 -0.390135 -0.228687
C -5.645984 2.162826 -1.489516
C -6.678570 -1.246259 0.941337
C 1.089496 -0.585205 -0.085840
C -0.310444 -1.037830 -0.292068
C 2.124141 -1.528668 -0.321684
C 3.480809 -1.174958 -0.153113
C 3.783508 0.165889 0.261715
C 1.405421 0.732751 0.324853
C 2.757501 1.103253 0.496883
C 5.582047 1.768637 0.811253
C 7.107237 1.766435 0.866152
H -3.197467 0.928334 1.420937
H -3.271220 1.681323 -0.192057
H -5.562327 2.480681 0.675535
H -6.842082 1.369418 0.126940
H -5.735684 0.247422 2.236638
H -4.653868 -1.051955 1.678436
H -2.877204 -1.358687 0.262357
H -2.866531 -0.504316 -1.309690
H -4.610258 2.473652 -1.718491
H -5.927071 1.367799 -2.201787
H -6.301703 3.038122 -1.655619
H -7.533008 -0.628493 0.610281
H -6.401350 -1.915405 0.108528
H -7.020630 -1.861646 1.794519
H 1.845553 -2.539648 -0.639418
H 0.601975 1.450827 0.502998
H 2.998904 2.122482 0.812657
H 5.141660 1.997824 1.802921
H 5.204902 2.508343 0.075994
H 5.485061 -1.735221 -0.230476
H 4.358245 -3.013675 -0.665737
H 7.533216 1.525008 -0.122753
H 7.471521 1.022489 1.595188
H 7.475993 2.762639 1.170748


