%chk=000004463.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004463

0 1
 O   0.8987000      -2.838800      -1.512200    
 N   0.2499000       1.008600     -6.0100000E-02
 N  -0.8543000      -1.714000     -0.6317000    
 N   -1.940700       1.580900      0.6821000    
 N    2.458100      0.8732000      0.8178000    
 C   0.4841000       2.479700     -0.2277000    
 C   3.2900002E-02   3.169800      -1.459800    
 C    1.496100       2.967600      -1.195300    
 C   -1.092000      0.6195000      0.2036000    
 C    1.400400      0.2312000      0.2331000    
 C   -1.574900     -0.6623000     -5.0299998E-02
 C    1.491300      -1.126300     -5.8800001E-02
 C   -2.936800     -0.9290000      0.1845000    
 C   0.4919000      -1.916800     -0.8002000    
 C    2.667900      -1.816400      0.2925000    
 C   -3.782900      4.6000000E-02  0.6852000    
 C   -3.236100       1.283300      0.9172000    
 C    3.570700      0.1814000       1.142500    
 C   -3.546500      -2.275000     -7.1099997E-02
 C    3.722200      -1.162500      0.9086000    
 H   0.4112000       3.019300      0.7120000    
 H  -0.3640000       4.172700      -1.362700    
 H  -0.4186000       2.584700      -2.251600    
 H    2.017800       2.260500      -1.828500    
 H    2.082900       3.835900     -0.9212000    
 H   -1.409000      -2.472700      -1.016800    
 H    2.777700      -2.879300      8.6800002E-02
 H   -4.832500     -0.1370000      0.8842000    
 H   -3.836200       2.099700       1.303900    
 H    4.357300      0.7625000       1.611200    
 H   -4.576000      -2.335800      0.3003000    
 H   -3.578800      -2.484000      -1.145500    
 H   -2.984200      -3.061500      0.4439000    
 H    4.629300      -1.687600       1.182200    


%chk=000004463-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004463

0 1
O 0.897870 -3.004970 -1.447127
N 0.294595 1.035223 -0.144149
N -0.821565 -1.577771 -0.917374
N -1.796639 1.592202 0.818846
N 2.420821 0.911997 0.867541
C 0.539254 2.473656 -0.280537
C -0.106915 3.184862 -1.467507
C 1.411917 2.931460 -1.446781
C -1.044937 0.649735 0.188578
C 1.395970 0.232530 0.266170
C -1.565262 -0.631707 -0.160702
C 1.466728 -1.176776 0.022272
C -2.914459 -0.943249 0.179821
C 0.515279 -1.967854 -0.818838
C 2.620421 -1.867988 0.469692
C -3.680845 0.053390 0.830174
C -3.090865 1.299761 1.118767
C 3.514988 0.220405 1.279770
C -3.516520 -2.289208 -0.173960
C 3.656471 -1.177360 1.126461
H 0.618688 3.022977 0.660398
H -0.481409 4.198599 -1.302558
H -0.706186 2.582375 -2.156617
H 1.801023 2.163014 -2.121148
H 2.091067 3.769009 -1.267383
H -1.361947 -2.215838 -1.511171
H 2.691501 -2.937055 0.246668
H -4.722470 -0.141431 1.104141
H -3.661205 2.097782 1.606426
H 4.302330 0.819491 1.752341
H -4.514165 -2.400750 0.280772
H -3.645842 -2.413516 -1.268469
H -2.883618 -3.124165 0.180053
H 4.552827 -1.691330 1.483530


