%chk=000005647.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005647

0 1
 O    2.960500       1.141500     -0.8877000    
 O   0.4996000       2.102100      5.0299998E-02
 O    4.584000      0.9071000      0.7310000    
 O   -5.166900     -0.8327000      -1.152000    
 N   -1.750400       1.661800      0.4012000    
 N    5.048700      -1.673700      1.2700000E-02
 N   -1.657100     -0.7166000      0.8853000    
 N   -3.673600       1.674300     -0.7294000    
 N   -3.517500      -1.963900      1.9200001E-02
 N   -1.777700      -2.999600       1.225800    
 C    2.599800      -1.704100     -0.5363000    
 C    3.960600     -0.9840000     -0.6822000    
 C    2.121000      -1.696000      0.9195000    
 C    2.604300      -3.141300      -1.070700    
 C    3.900100      0.4493000     -0.1755000    
 C   -2.193000      0.3929000      0.3702000    
 C  -0.5333000       2.163900       1.023400    
 C    2.789400       2.512500     -0.5147000    
 C   -3.368700      0.4061000     -0.3219000    
 C    1.727700       2.603100      0.5644000    
 C   -2.674000       2.411500     -0.2753000    
 C   -4.109000     -0.8215000     -0.5344000    
 C   -2.374600      -1.892800      0.6770000    
 H    1.854300      -1.150700      -1.123100    
 H    4.232100     -0.9402000      -1.744200    
 H    1.142800      -2.180400      0.9959000    
 H    2.005800     -0.6790000       1.306400    
 H    2.802500      -2.241200       1.580100    
 H    2.937500      -3.162700      -2.113500    
 H    3.267000      -3.788300     -0.4867000    
 H    1.597500      -3.571000      -1.032200    
 H  -0.7172000       3.196600       1.339300    
 H  -0.3016000       1.538400       1.891700    
 H    5.925800      -1.178500     -0.1442000    
 H    4.889200      -1.661500       1.018700    
 H    3.732900       2.968700     -0.1953000    
 H    2.455700       3.039000      -1.415200    
 H    2.017900       2.007500       1.437200    
 H    1.599400       3.647800      0.8685000    
 H   -2.571900       3.480000     -0.4092000    
 H  -0.7840000     -0.7299000       1.401800    
 H  -0.9149000      -2.929900       1.753500    
 H   -2.199200      -3.918200       1.141900    


%chk=000005647-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005647

0 1
O 1.981139 0.742424 -0.951514
O 0.133058 2.818703 0.210895
O 4.172036 0.702411 -0.146087
O -4.662680 -1.627670 -0.837905
N -1.535576 1.334097 1.014871
N 4.105926 -2.206520 -0.289337
N -0.766108 -0.134500 -0.855941
N -3.720772 0.648408 1.092060
N -2.489932 -1.590282 -1.744354
N -0.323534 -1.602028 -2.653745
C 2.117897 -1.655470 1.155192
C 2.871634 -1.426785 -0.210515
C 3.019211 -1.351163 2.373372
C 1.574858 -3.100413 1.198999
C 3.124171 0.081182 -0.412293
C -1.698973 0.358687 0.035288
C -0.313926 2.026813 1.368003
C 2.094829 2.225410 -1.152730
C -3.034607 -0.070467 0.086565
C 1.591560 2.985296 0.074588
C -2.817359 1.475494 1.619350
C -3.503449 -1.136149 -0.822987
C -1.256328 -1.114901 -1.743710
H 1.251530 -0.959929 1.167672
H 2.185522 -1.766831 -1.008983
H 2.436369 -1.442426 3.307389
H 3.453991 -0.334432 2.339311
H 3.849262 -2.078651 2.433072
H 0.827534 -3.275238 0.402921
H 2.404430 -3.815782 1.062423
H 1.088712 -3.303214 2.170328
H -0.535433 2.685953 2.228760
H 0.479323 1.302638 1.651134
H 4.407822 -2.447869 -1.236059
H 4.871672 -1.841401 0.284170
H 3.151089 2.469783 -1.361667
H 1.459528 2.435161 -2.027333
H 2.132549 2.659607 0.984806
H 1.779411 4.065119 -0.072914
H -2.990896 2.188608 2.422567
H 0.212001 0.196556 -0.889140
H 0.522214 -1.082685 -2.881152
H -0.678203 -2.291142 -3.314070


