%chk=000038058.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038058

0 1
 O   -1.774600       1.869800      -1.380700    
 O   -2.901000      -1.837100       2.298800    
 N    3.399700      0.6272000     -0.1748000    
 N    5.476300      -1.328400     -0.6453000    
 N   5.7700001E-02   1.438800      0.5931000    
 C    3.914900      0.3728000      -1.525800    
 C    4.438600      0.3625000      0.8278000    
 C    4.438400      -1.062300      -1.648800    
 C    4.961200      -1.073000      0.7055000    
 C    2.902500       1.996600     -5.8200002E-02
 C    2.265500       2.212900       1.315800    
 C    1.100300       1.260500       1.575500    
 C    5.971600      -2.698700     -0.7615000    
 C   -1.091800      0.7178000      0.5771000    
 C   -2.036300       1.017900     -0.5378000    
 C   -3.303900      0.2624000     -0.6050000    
 C   -1.406600     -0.2168000       1.482500    
 C   -3.607300     -0.7064000      0.3520000    
 C   -2.663700     -0.9909000       1.445600    
 C   -4.208700      0.5233000      -1.641300    
 C   -4.812500      -1.414300      0.2770000    
 C   -5.409400     -0.1840000      -1.714500    
 C   -5.710900      -1.150500     -0.7571000    
 H    4.715300       1.081000      -1.779700    
 H    3.112300      0.5096000      -2.260800    
 H    4.053100      0.4471000       1.847800    
 H    5.272800       1.070100      0.7284000    
 H    3.603800      -1.769300      -1.545900    
 H    4.854000      -1.192600      -2.655300    
 H    5.764300      -1.212000       1.439500    
 H    4.160100      -1.780800      0.9595000    
 H    2.169200       2.200100     -0.8470000    
 H    3.713800       2.723800     -0.1950000    
 H    2.992500       2.162400       2.132300    
 H    1.884300       3.243200       1.341100    
 H    1.451300      0.2222000       1.586500    
 H   0.7040000       1.481400       2.574400    
 H    6.777400      -2.878400     -4.1099999E-02
 H    5.183600      -3.440800     -0.5897000    
 H    6.396100      -2.870700      -1.756800    
 H   0.1447000       2.178500     -9.6100003E-02
 H  -0.7467000     -0.4630000       2.308500    
 H   -3.998000       1.272000      -2.400300    
 H   -5.068600      -2.172600       1.011900    
 H   -6.110200      1.9600000E-02  -2.518900    
 H   -6.646300      -1.699400     -0.8161000    


%chk=000038058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000038058

0 1
O -1.989788 2.313410 -1.009184
O -2.731697 -2.351338 1.813596
N 3.521723 0.637377 -0.087036
N 5.495464 -1.420728 -0.623995
N -0.082423 1.552828 0.700983
C 3.736952 0.112980 -1.460595
C 4.782272 0.553510 0.693932
C 4.239436 -1.338830 -1.406298
C 5.285719 -0.898611 0.745856
C 2.911342 1.987217 -0.074129
C 2.210337 2.304195 1.269259
C 1.064727 1.325444 1.587246
C 6.077426 -2.776178 -0.629763
C -1.171210 0.733176 0.608845
C -2.204251 1.225169 -0.379934
C -3.425747 0.408037 -0.567372
C -1.367342 -0.445629 1.325961
C -3.600373 -0.799182 0.170765
C -2.554352 -1.264401 1.156271
C -4.420042 0.831611 -1.485574
C -4.769294 -1.567914 -0.021642
C -5.583572 0.058165 -1.670200
C -5.757401 -1.142947 -0.937330
H 4.483155 0.728522 -2.022621
H 2.776239 0.148799 -2.007225
H 4.601529 0.909229 1.724612
H 5.579391 1.195861 0.241432
H 3.435560 -1.980917 -0.962592
H 4.436736 -1.698497 -2.433631
H 6.247988 -0.935152 1.290548
H 4.542648 -1.516470 1.313759
H 2.163864 2.023258 -0.890286
H 3.661910 2.788472 -0.292064
H 2.942224 2.262918 2.096673
H 1.830378 3.346076 1.245549
H 1.441985 0.293086 1.443195
H 0.744476 1.428148 2.645617
H 7.039729 -2.769989 -0.086680
H 5.416653 -3.545293 -0.154662
H 6.274714 -3.091521 -1.670146
H -0.124051 2.396731 0.115386
H -0.629600 -0.802491 2.050445
H -4.259008 1.762855 -2.038105
H -4.876866 -2.489817 0.558542
H -6.352589 0.383862 -2.378558
H -6.662170 -1.743534 -1.081752


