%chk=000004154.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004154

0 1
 S    2.913900      -2.231700     -0.7615000    
 O    4.237600      -2.754500     -0.4787000    
 O    2.377500      -2.318000      -2.106200    
 O    1.152200       2.547900      -1.095100    
 O    2.965200       3.453600      0.8078000    
 O   -5.925500      0.6061000       1.155300    
 O   -7.315400       1.444800      -1.008200    
 N    1.794400      -2.900200      0.3644000    
 N   -6.042400      0.8722000      -1.137700    
 C    2.925800     -0.5249000     -0.2932000    
 C   0.4999000      -2.309300      0.4808000    
 C    2.025900      0.3428000     -0.8852000    
 C    3.835200     -9.3099996E-02  0.6555000    
 C    2.035800       1.687800     -0.5159000    
 C    2.945300       2.142300      0.4390000    
 C    3.844900       1.251900       1.024800    
 C  -0.3464000      -2.259800     -0.6269000    
 C   8.1200004E-02  -1.781600       1.702400    
 C   -2.029800      -1.155200      0.7081000    
 C   -1.611100      -1.682700     -0.5133000    
 C   -1.183600      -1.204600       1.816000    
 C   -3.349000     -0.5541000      0.8267000    
 C  -0.1101000       2.711000     -0.4517000    
 C    3.816800       4.323100      6.4199999E-02
 C   -4.096000     -0.1018000     -0.2053000    
 C   -5.442400      0.4881000      3.4000002E-02
 H    2.196000      -3.239900       1.248200    
 H    1.317700      6.0999999E-03  -1.636000    
 H    4.537600     -0.7718000       1.129100    
 H    4.554400       1.598600       1.771200    
 H  -5.8400001E-02  -2.692400      -1.580000    
 H   0.7331000      -1.812300       2.571600    
 H   -2.245000      -1.690200      -1.395100    
 H   -1.491500     -0.7966000       2.775700    
 H   -3.735200     -0.4737000       1.840600    
 H   2.1500001E-02   3.081300      0.5698000    
 H  -0.6912000       3.444200      -1.017600    
 H  -0.6583000       1.763700     -0.4402000    
 H    3.523400       4.341100     -0.9902000    
 H    3.716300       5.332400      0.4723000    
 H    4.861300       4.009500      0.1585000    
 H   -3.750200     -0.1354000      -1.232700    
 H   -5.643500      0.8367000      -2.069400    
 H   -7.262100       2.141300      -1.684300    


%chk=000004154-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004154

0 1
S 3.025117 -2.357245 -0.658533
O 4.362647 -3.102757 -0.116325
O 2.509530 -2.445358 -2.192301
O 1.514313 2.638120 -1.194814
O 3.338027 3.491770 0.940592
O -6.008060 0.951682 0.938116
O -7.706969 1.300370 -1.024385
N 1.599360 -3.151489 0.433584
N -6.471649 0.618738 -1.266825
C 3.118667 -0.532410 -0.186962
C 0.369050 -2.458241 0.473359
C 2.300402 0.372302 -0.881015
C 3.982109 -0.163378 0.859553
C 2.344290 1.732029 -0.506451
C 3.242884 2.155100 0.523061
C 4.040334 1.203200 1.201798
C -0.397461 -2.339773 -0.726885
C -0.150789 -1.914270 1.684024
C -2.180491 -1.154530 0.502405
C -1.638059 -1.689842 -0.707499
C -1.411527 -1.294962 1.695299
C -3.474479 -0.474837 0.577075
C 0.445322 3.248855 -0.361647
C 3.703755 4.481432 -0.106490
C -4.360844 -0.253975 -0.444660
C -5.622264 0.458744 -0.188866
H 2.057235 -3.294691 1.351877
H 1.644260 0.052552 -1.695901
H 4.616702 -0.907296 1.351031
H 4.713890 1.562375 1.985492
H 0.000080 -2.774283 -1.649174
H 0.433274 -1.989777 2.609599
H -2.204811 -1.611793 -1.641687
H -1.810158 -0.896047 2.635758
H -3.778653 -0.094137 1.562917
H 0.875234 3.786015 0.503157
H -0.078361 3.948163 -1.029714
H -0.251738 2.464868 -0.012437
H 3.002580 4.440087 -0.957326
H 3.655189 5.458696 0.395432
H 4.733866 4.285609 -0.456383
H -4.164785 -0.596447 -1.468976
H -6.388573 0.286375 -2.225315
H -7.602643 1.503156 -0.031956


