%chk=000002615.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002615

0 1
 S  -0.5920000       1.033600      -1.900500    
 S   -5.132000     -0.1647000     -0.8838000    
 O   0.5019000      -2.527800      0.8802000    
 O   -1.942600      -1.425200       2.577800    
 O    3.341800       1.342000      -1.410900    
 O    5.261900       2.154800      0.3924000    
 O   -3.374600      -2.237200      0.9904000    
 O    3.935200       2.718900       2.204100    
 N  -0.5827000     -0.5334000      0.2427000    
 N    2.630400     -0.2403000      0.1317000    
 N   -7.898600     -0.1966000     -0.8785000    
 N   -7.066300       1.079900      0.6643000    
 N   -8.957300      0.3156000     -0.2357000    
 N   -8.442000       1.095200      0.7071000    
 C   0.2068000      0.5243000     -0.3614000    
 C    1.335800     -0.5220000     -0.4875000    
 C   0.4155000      -1.434000      0.3730000    
 C   -1.911000     -0.4282000      0.5046000    
 C   -2.663700      0.5564000     -4.1600000E-02
 C   -2.125500       1.557600      -1.061400    
 C   -4.124000      0.7883000      0.2637000    
 C    3.535700      0.6821000     -0.3921000    
 C   -2.507600      -1.468800       1.355200    
 C    4.800800      0.8129000      0.4442000    
 C    5.896500     -9.9100001E-02 -5.5599999E-02
 C   -6.751500      0.2742000     -0.3236000    
 C    6.007700      -1.395800      0.4464000    
 C    6.796600      0.3551000      -1.019500    
 C    7.019200      -2.238100     -1.5100000E-02
 C    7.808100     -0.4873000      -1.481100    
 C    4.744200       2.995000       1.332200    
 C    7.919300      -1.784000     -0.9789000    
 C   -8.085900      -1.103200      -1.982800    
 H   0.4208000       1.341400      0.3385000    
 H    1.478300     -0.9427000      -1.492300    
 H   -2.861200       1.725900      -1.854500    
 H   -1.946800       2.518200     -0.5656000    
 H    2.897000     -0.7371000      0.9785000    
 H   -4.364300       1.855300      0.1908000    
 H   -4.355100      0.4871000       1.291700    
 H    4.590600      0.5382000       1.486700    
 H   -2.312700      -2.105300       3.180100    
 H    5.312700      -1.763000       1.196800    
 H    6.725000       1.355400      -1.437500    
 H    7.105600      -3.247800      0.3755000    
 H    8.507200     -0.1351000      -2.234000    
 H    5.178100       3.995600       1.183000    
 H    8.706200      -2.440100      -1.339000    
 H   -7.631200     -0.6644000      -2.874100    
 H   -9.155100      -1.256200      -2.152500    
 H   -7.612800      -2.056300      -1.734400    


%chk=000002615-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002615

0 1
S -1.127554 1.238814 -1.155588
S -5.642211 -0.682749 0.138881
O 0.197422 -2.675682 1.029658
O -1.698623 -1.928957 3.159551
O 3.304802 -0.217856 -1.644743
O 4.856649 1.639279 0.669492
O -3.878153 -1.997298 2.356030
O 3.580841 1.332464 2.611611
N -0.870864 -0.464020 1.036306
N 2.335355 -0.164789 0.478068
N -7.087461 0.150799 -2.107590
N -5.683070 1.719314 -1.380209
N -7.233384 1.265463 -2.972592
N -6.381974 2.195389 -2.512256
C -0.138724 0.615044 0.327417
C 0.996914 -0.417751 0.000963
C 0.121803 -1.466893 0.775085
C -2.242817 -0.470489 1.353741
C -3.104982 0.480073 0.833034
C -2.663239 1.590769 -0.103456
C -4.562456 0.527179 1.205694
C 3.413573 -0.090008 -0.394645
C -2.713177 -1.529010 2.295961
C 4.768464 0.145268 0.334014
C 5.996564 -0.201300 -0.462299
C -6.144094 0.454710 -1.155372
C 6.928340 -1.125708 0.071112
C 6.240307 0.385217 -1.730502
C 8.092062 -1.467164 -0.653277
C 7.407179 0.050697 -2.448202
C 4.265653 2.050344 1.843758
C 8.333826 -0.876454 -1.914213
C -7.870770 -1.068621 -2.310432
H 0.137074 1.460579 0.977018
H 1.055774 -0.657230 -1.076152
H -3.478386 1.823186 -0.813782
H -2.467130 2.514447 0.474309
H 2.504101 0.021960 1.476910
H -4.996270 1.522496 1.025162
H -4.775393 0.180321 2.225523
H 4.753691 -0.390460 1.301360
H -2.009243 -2.696580 3.710939
H 6.743598 -1.581866 1.051866
H 5.515664 1.087564 -2.150938
H 8.805053 -2.186151 -0.235714
H 7.592345 0.505950 -3.427076
H 4.489669 3.119406 2.007221
H 9.236711 -1.136738 -2.477957
H -7.213926 -1.913799 -2.578185
H -8.575001 -0.878882 -3.133099
H -8.432127 -1.320975 -1.394704


