%chk=000038519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038519

0 1
 O   -1.054200     -0.4586000      -2.170700    
 O    1.691400     -0.1381000      -1.849800    
 O    4.863500      0.5145000      0.7637000    
 O    4.154100      0.2361000      -1.363200    
 N   -2.184500     -0.4647000     -0.1432000    
 N   0.1056000     -0.2122000     -0.1603000    
 C   -3.510100     -0.6433000     -0.6927000    
 C   -4.394800      -1.457900      0.2569000    
 C   -4.153000      0.7062000      -1.030400    
 C   -4.796200     -0.6691000       1.503400    
 C   -4.554700       1.491400      0.2182000    
 C   -5.443500      0.6642000       1.141800    
 C    2.486800      0.1240000      0.4436000    
 C   -1.045700     -0.3850000     -0.9430000    
 C    2.521400      -1.122000       1.386700    
 C    2.122300       1.404000       1.260900    
 C    1.407100     -9.8399997E-02 -0.6525000    
 C    3.899300      0.2799000     -0.1656000    
 C    2.849700      -2.427600      0.7124000    
 C    2.049800       2.667700      0.4422000    
 C    2.013400      -3.470200      0.6564000    
 C   0.9724000       3.459100      0.3854000    
 H   -3.401800      -1.210500      -1.625600    
 H   -5.305000      -1.761300     -0.2760000    
 H   -3.881600      -2.378700      0.5594000    
 H   -3.473600       1.315500      -1.638500    
 H   -5.049800      0.5304000      -1.638300    
 H   -3.918300     -0.4916000       2.135600    
 H   -5.496400      -1.264400       2.100800    
 H   -5.082900       2.404800     -7.8000002E-02
 H   -3.655900       1.807600      0.7614000    
 H   -6.406800      0.4796000      0.6504000    
 H   -5.655400       1.231200       2.055200    
 H   -2.081800     -0.3175000      0.8558000    
 H    1.559600      -1.214500       1.908000    
 H    3.258600     -0.9766000       2.185900    
 H    2.864500       1.575900       2.049700    
 H    1.176100       1.255700       1.796500    
 H  -3.8199998E-02 -0.1791000      0.8439000    
 H    3.833600      -2.528700      0.2623000    
 H    2.937200       2.961900     -0.1115000    
 H    4.584600      0.5379000       1.701400    
 H    2.312700      -4.388300      0.1627000    
 H    1.022700      -3.427500       1.095000    
 H   0.9865000       4.363700     -0.2127000    
 H   6.3800000E-02   3.220700      0.9270000    


%chk=000038519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038519

0 1
O -1.327363 -2.193281 -0.695384
O 1.455593 -1.162859 -1.318204
O 3.741581 0.003658 -1.355228
O 4.352845 1.262068 0.463115
N -2.304986 -0.091740 -0.351608
N -0.067580 -0.414998 0.274120
C -3.664406 -0.477135 -0.806048
C -4.583487 -0.837162 0.393182
C -4.282065 0.663698 -1.653437
C -4.953598 0.400185 1.245201
C -4.656279 1.902630 -0.801266
C -5.585096 1.514709 0.374766
C 2.376659 -0.182030 0.737522
C -1.264548 -0.998204 -0.319722
C 2.925796 -1.509988 1.433194
C 1.982889 0.791831 1.892064
C 1.218039 -0.611893 -0.190325
C 3.572336 0.443147 -0.070441
C 3.479472 -2.578468 0.516196
C 1.283933 2.069075 1.471466
C 4.764739 -3.009139 0.555144
C 0.171004 2.574343 2.066554
H -3.524245 -1.376369 -1.432462
H -5.509417 -1.292003 -0.013418
H -4.090076 -1.610615 1.010641
H -3.589737 0.939201 -2.471379
H -5.201891 0.268928 -2.127870
H -4.043631 0.794499 1.744323
H -5.649648 0.104091 2.052722
H -5.144241 2.659526 -1.444001
H -3.741541 2.391435 -0.399968
H -6.551086 1.152266 -0.033481
H -5.812334 2.404108 0.993182
H -2.115567 0.893843 -0.156609
H 2.084600 -1.925821 2.025289
H 3.707795 -1.185909 2.145349
H 2.941252 1.076293 2.368180
H 1.386251 0.253735 2.655027
H -0.195525 0.262570 1.033011
H 2.775106 -3.038036 -0.190229
H 1.758497 2.625763 0.650149
H 2.978547 -0.640593 -1.603048
H 5.120133 -3.803688 -0.109925
H 5.501468 -2.571637 1.240675
H -0.260905 3.530778 1.752104
H -0.306782 2.075389 2.921479


