%chk=000036407.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036407

0 1
 O   0.8794000       2.174600      -1.464700    
 N   -2.805700      -1.345800     -0.6122000    
 N   -1.089200       2.927200     -0.5415000    
 C   1.7000000E-03   1.010700      0.4333000    
 C    1.287800      0.1978000      0.3920000    
 C   0.5293000      -1.600000      -1.350600    
 C    1.522200     -0.9322000     -0.4204000    
 C   -1.281700      0.2130000      0.4472000    
 C  -0.7261000     -0.8420000      -1.765600    
 C   -1.648800     -0.6349000     -0.5992000    
 C    2.341000      0.6639000       1.215100    
 C    2.784900      -1.565700     -0.3482000    
 C  -1.1100000E-02   2.077800     -0.6240000    
 C   -2.172000      0.3218000       1.523500    
 C    3.580200      2.7799999E-02   1.260300    
 C    3.802200      -1.092900      0.4780000    
 C   -3.362800     -0.3945000       1.530600    
 C   -3.631300      -1.206700      0.4466000    
 H   2.0099999E-02   1.566400       1.384100    
 H    1.062000      -1.850200      -2.278600    
 H   0.2361000      -2.552600     -0.8880000    
 H   -1.251700      -1.439600      -2.522300    
 H  -0.4898000      0.1045000      -2.258700    
 H    2.198200       1.545600       1.837700    
 H    2.981600      -2.451000     -0.9510000    
 H   -1.944500      0.9702000       2.366000    
 H    4.365500      0.4098000       1.905400    
 H    4.761500      -1.600400      0.5069000    
 H   -4.057500     -0.3157000       2.358700    
 H   -4.546000      -1.787800      0.3990000    
 H   -1.201200       3.687800      -1.203500    
 H   -1.798000       2.850600      0.1805000    


%chk=000036407-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036407

0 1
O 1.100201 2.621873 -1.118495
N -2.835587 -1.282535 -0.572740
N -1.203556 2.721313 -0.891032
C 0.028076 1.045196 0.483663
C 1.312605 0.203570 0.421697
C 0.518468 -1.532540 -1.411530
C 1.523918 -0.923549 -0.426828
C -1.272699 0.254591 0.528534
C -0.756296 -0.729780 -1.765038
C -1.666232 -0.570914 -0.567660
C 2.365397 0.622262 1.278993
C 2.781483 -1.585292 -0.361777
C 0.037312 2.178781 -0.602872
C -2.133857 0.321946 1.649263
C 3.606150 -0.041100 1.326509
C 3.815001 -1.164510 0.495930
C -3.341214 -0.413018 1.654167
C -3.649908 -1.196464 0.520903
H 0.084239 1.615435 1.434451
H 1.059330 -1.739919 -2.355268
H 0.202160 -2.521316 -1.019965
H -1.318244 -1.273281 -2.543302
H -0.470516 0.254839 -2.180101
H 2.206294 1.501431 1.915420
H 2.945679 -2.453747 -1.012884
H -1.857177 0.939400 2.512596
H 4.396171 0.313873 1.996964
H 4.770416 -1.700563 0.512437
H -4.022194 -0.382422 2.510291
H -4.575788 -1.781401 0.473944
H -1.250214 3.501527 -1.546045
H -2.063118 2.333816 -0.503824


