%chk=000005625.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005625

0 1
 S    7.175000       1.900800     -9.0000004E-02
 O   0.2834000      -3.913600       1.346400    
 O    8.556000       2.127800     -0.4736000    
 O    6.174400       2.929100     -0.2962000    
 N   -3.272400     -0.7685000     -0.1748000    
 N   -1.042000      -2.053000      0.9799000    
 N    1.310900      -1.015900     -0.4140000    
 N   -4.427900       1.579800      0.8854000    
 N   -4.837100     -0.7204000      -1.987500    
 N    6.663900      0.4004000     -0.7624000    
 C   -3.132400      -2.229100     -0.2976000    
 C   -2.026700     -1.2900000E-02  2.0600000E-02
 C   -2.299100      -2.786600      0.8553000    
 C   -1.220400     -0.6108000       1.171700    
 C   -4.351000     -0.1624000     -0.8295000    
 C   0.1828000      -2.741700      0.9791000    
 C    1.359100      -2.013400      0.5180000    
 C   -4.926800       1.008800     -0.3003000    
 C    2.665200      -2.178600      0.9056000    
 C    3.450000      -1.240600      0.1782000    
 C    2.576300     -0.5238000     -0.6422000    
 C   -4.973800       2.768300       1.468100    
 C   -5.997500       1.604700     -0.9575000    
 C    4.824100     -0.9316000      0.1390000    
 C    3.009800      0.4905000      -1.503100    
 C   -5.879000     -0.1130000      -2.598400    
 C    5.272300      8.0399998E-02 -0.7178000    
 C   -6.488600       1.039400      -2.129100    
 C    4.377200      0.7793000      -1.525300    
 C   -6.250600       2.424100       2.224100    
 C   -3.936700       3.398000       2.388600    
 C    7.181600       1.484400       1.639400    
 H   -2.651900      -2.465200      -1.255500    
 H   -4.114100      -2.718100     -0.2823000    
 H   -2.173100       1.053500      0.2090000    
 H   -1.457600     -6.9899999E-02 -0.9140000    
 H   -2.835600      -2.682100       1.805900    
 H   -2.108000      -3.852500      0.6938000    
 H  -0.2693000     -9.2100002E-02   1.309600    
 H   -1.772900     -0.4866000       2.112000    
 H    3.026100      -2.893500       1.633000    
 H   0.4878000     -0.7116000     -0.9105000    
 H   -3.861300      0.9786000       1.473700    
 H   -5.187200       3.526800      0.7057000    
 H   -6.484900       2.509500     -0.6123000    
 H    5.523500      -1.474600      0.7694000    
 H    2.313900       1.033000      -2.134100    
 H   -6.224000     -0.5929000      -3.508200    
 H   -7.321200       1.486800      -2.659800    
 H    4.732500       1.555800      -2.199300    
 H   -6.052700       1.696300       3.019900    
 H   -6.672900       3.320300       2.691600    
 H   -7.024600       1.994900       1.581700    
 H   -4.319300       4.321700       2.835600    
 H   -3.657200       2.718500       3.201800    
 H   -3.022500       3.642600       1.836100    
 H    7.282000     -0.3987000     -0.5674000    
 H    7.561300       2.347800       2.190600    
 H    6.163000       1.263400       1.961900    
 H    7.840200      0.6283000       1.797100    


%chk=000005625-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005625

0 1
S 7.686860 1.715380 -0.048060
O 0.177998 -3.935369 1.087783
O 9.243876 1.547737 0.385237
O 7.227298 2.692460 -1.258060
N -3.465513 -0.668667 -0.109630
N -1.013633 -1.989436 0.574349
N 1.588156 -1.114555 -0.678534
N -4.569464 1.642305 0.987622
N -5.093415 -0.639581 -1.879358
N 7.092446 -0.092860 -0.522367
C -3.306864 -2.129917 -0.336576
C -2.162966 0.045467 -0.250720
C -2.305810 -2.707683 0.679681
C -1.147176 -0.525305 0.754462
C -4.574078 -0.045133 -0.779156
C 0.175445 -2.713795 0.732039
C 1.451501 -2.019973 0.398899
C -5.112774 1.166380 -0.205744
C 2.704023 -2.205509 0.988453
C 3.651172 -1.388598 0.266553
C 2.922435 -0.722998 -0.788127
C -5.141285 2.752551 1.779079
C -6.177082 1.790038 -0.910439
C 5.039653 -1.140229 0.405530
C 3.554765 0.140287 -1.714145
C -6.148154 -0.044416 -2.515175
C 5.684257 -0.300961 -0.538180
C -6.689603 1.182000 -2.079800
C 4.937559 0.337276 -1.589232
C -6.455237 2.351830 2.501056
C -4.077798 3.245343 2.781378
C 6.683193 2.269662 1.505812
H -2.962502 -2.339141 -1.371740
H -4.291587 -2.610629 -0.216319
H -2.315243 1.122653 -0.063235
H -1.769391 -0.072976 -1.288543
H -2.710220 -2.605290 1.707893
H -2.118467 -3.777197 0.492950
H -0.168295 -0.033747 0.643827
H -1.512537 -0.325866 1.785391
H 2.896239 -2.863391 1.833322
H 0.849640 -0.905750 -1.349080
H -4.022365 0.939197 1.498738
H -5.360451 3.579625 1.075090
H -6.622784 2.717654 -0.538754
H 5.614519 -1.613495 1.211220
H 2.995708 0.630248 -2.518250
H -6.544855 -0.569990 -3.389865
H -7.514205 1.646274 -2.630121
H 5.482200 0.969712 -2.296013
H -6.251527 1.588158 3.274645
H -6.912692 3.228408 2.995798
H -7.190632 1.932036 1.792508
H -4.467173 4.090304 3.375651
H -3.802947 2.438502 3.488603
H -3.164024 3.576860 2.257574
H 7.614820 -0.692992 0.142944
H 6.956584 3.323635 1.653421
H 5.620976 2.143293 1.256538
H 7.011424 1.630074 2.336276


