%chk=000028156.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028156

0 1
 S   0.9101000      2.9800000E-02   1.808500    
 O   -1.025900      0.9088000      -2.280300    
 N   -1.400900     -0.1626000     -0.2356000    
 N   -4.102000      -1.033800      0.3156000    
 C  -0.3808000      0.4627000      -1.074900    
 C   -2.457400      0.7983000      0.1043000    
 C   -1.973000      -1.340000     -0.9002000    
 C   0.6730000     -0.5661000      -1.544600    
 C   -3.530200      0.1431000      0.9811000    
 C   -3.045000      -1.994900     -2.2299999E-02
 C   0.3005000       1.654100     -0.3997000    
 C    1.644100      -1.276800     -0.6206000    
 C   0.9236000       1.538900      0.8601000    
 C   -5.123500      -1.658800       1.153400    
 C   0.3571000       2.907600      -1.044100    
 C    1.825700      -1.087300      0.7606000    
 C    2.466200      -2.230400      -1.269700    
 C    1.554300       2.650300       1.445100    
 C   0.9920000       4.004800     -0.4580000    
 C    2.793500      -1.856700       1.441900    
 C    1.589900       3.876400      0.7874000    
 C    3.423000      -2.977300     -0.5849000    
 C    3.585900      -2.790200      0.7770000    
 H   -2.942100       1.206800     -0.7927000    
 H   -2.060700       1.647100      0.6722000    
 H   -1.226400      -2.124200      -1.055000    
 H   -2.425200      -1.101100      -1.870600    
 H    1.325800     -1.1900000E-02  -2.242100    
 H   0.2193000      -1.316700      -2.206700    
 H   -3.096700     -0.1284000       1.953300    
 H   -4.319500      0.8809000       1.170600    
 H   -3.475600      -2.840000     -0.5735000    
 H   -2.580700      -2.401000      0.8870000    
 H   -1.144800      0.1590000      -2.885200    
 H   -5.578900      -2.509400      0.6341000    
 H   -5.932400     -0.9508000       1.365500    
 H   -4.717400      -2.014300       2.107300    
 H  -9.0700001E-02   3.057200      -2.023400    
 H    2.359300      -2.396400      -2.341000    
 H    2.027100       2.572900       2.422200    
 H    1.018000       4.957600     -0.9788000    
 H    2.946200      -1.735300       2.513600    
 H    2.082600       4.727600       1.247300    
 H    4.034200      -3.700000      -1.116500    
 H    4.325200      -3.366400       1.324700    


%chk=000028156-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028156

0 1
S 1.051878 0.357605 1.774521
O -0.694297 1.244507 -2.621525
N -1.220380 -0.009417 -0.555761
N -3.598576 -1.292889 0.475901
C -0.188650 0.705138 -1.291923
C -2.341605 0.795417 -0.008708
C -1.714413 -1.281051 -1.134700
C 1.039016 -0.204311 -1.645866
C -3.099494 -0.020119 1.051699
C -2.470909 -2.086820 -0.063977
C 0.299149 1.955645 -0.541541
C 1.492832 -1.256426 -0.640550
C 0.929658 1.865032 0.727278
C -4.418896 -2.059877 1.432097
C 0.200738 3.232504 -1.148321
C 1.564628 -1.094804 0.768804
C 1.914022 -2.507784 -1.174208
C 1.423815 3.028368 1.370044
C 0.682347 4.393858 -0.507359
C 2.029901 -2.156555 1.591560
C 1.294611 4.293989 0.761377
C 2.379087 -3.563382 -0.366053
C 2.432626 -3.385337 1.035228
H -3.048064 1.099889 -0.813901
H -1.936167 1.708645 0.457027
H -0.865408 -1.886575 -1.491678
H -2.415373 -1.101324 -1.987362
H 1.870125 0.486134 -1.881891
H 0.815210 -0.727493 -2.595148
H -2.412664 -0.202335 1.916803
H -3.964893 0.566852 1.413108
H -2.872967 -3.012764 -0.517265
H -1.744954 -2.376336 0.738128
H -1.073040 0.475699 -3.119646
H -4.811349 -2.968833 0.941062
H -5.279898 -1.447958 1.756607
H -3.855473 -2.376362 2.346693
H -0.270034 3.289652 -2.131589
H 1.871332 -2.645228 -2.262550
H 1.919237 2.931066 2.341870
H 0.583927 5.367685 -0.999113
H 2.084084 -2.008057 2.676327
H 1.682304 5.184398 1.268294
H 2.694426 -4.508537 -0.820477
H 2.789352 -4.188408 1.689085


