%chk=000004948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004948

0 1
 S  -0.8410000       1.900900      -1.142800    
 S   -5.316400      0.1540000      -1.117100    
 O   0.3874000      -2.448400     -5.2999999E-02
 O   -2.804000      -2.032200       1.902900    
 O    3.012500       2.166400     -0.2439000    
 O   -3.045800      -2.645700     -0.2869000    
 O    8.682900      -1.344100      -1.625700    
 N  -0.8204000     -0.4311000      0.1263000    
 N    2.359100      4.3699998E-02  0.4214000    
 N    4.795300       2.259200       1.864200    
 N   -7.306900      0.5288000      0.6843000    
 N   -8.645400      0.4559000      0.6062000    
 N   -9.201900      0.1364000     -0.5733000    
 C  -8.8399999E-02  0.8220000      9.6500002E-02
 C    1.127700     -1.0500000E-02 -0.3656000    
 C   0.2395000      -1.248700     -5.3900000E-02
 C   -2.165200     -0.5158000      0.2949000    
 C   -2.965000      0.5683000      0.1564000    
 C   -2.455800       1.936000     -0.2934000    
 C   -4.453900      0.5726000      0.4068000    
 C    3.213200       1.147900      0.4156000    
 C   -2.720100      -1.849400      0.5704000    
 C    4.440800      0.9541000       1.299100    
 C    5.579400      0.3369000      0.5137000    
 C    6.102800     -0.8756000      0.9252000    
 C    6.069600       1.000900     -0.5964000    
 C   -6.996400      0.2282000     -0.5598000    
 C    7.152000      -1.443200      0.2021000    
 C    7.118600      0.4330000      -1.319500    
 C    7.659900     -0.7889000     -0.9202000    
 C   -8.114200     -1.1600000E-02  -1.334700    
 H   1.9300001E-02   1.269700       1.092100    
 H    1.358800      4.8000000E-02  -1.438000    
 H    2.624700     -0.7567000      0.9904000    
 H   -3.158300       2.390700     -0.9993000    
 H   -2.383500       2.598800      0.5761000    
 H   -4.768300       1.556700      0.7739000    
 H   -4.710900     -0.1512000       1.187800    
 H    4.166000      0.3024000       2.138200    
 H    4.018300       2.610300       2.423500    
 H    5.576000       2.147800       2.510700    
 H   -3.171700      -2.912200       2.132400    
 H    5.715500      -1.394500       1.796900    
 H    5.665300       1.955300     -0.9197000    
 H    7.569200      -2.395600      0.5178000    
 H    7.506200      0.9531000      -2.191400    
 H   -8.219300     -0.2781000      -2.376100    
 H   -9.222800      0.6375000       1.419600    
 H    8.907400     -0.7580000      -2.368800    


%chk=000004948-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004948

0 1
S -1.641260 2.025087 0.756192
S -5.303551 -0.876985 -1.157283
O 0.864451 -0.485377 -2.278929
O -0.489910 -2.871769 -1.159074
O 2.672181 3.454886 -0.199627
O -2.745534 -2.792440 -1.715842
O 6.623545 -3.161726 0.305901
N -0.535032 -0.315918 -0.269040
N 2.320672 1.191930 0.214981
N 5.358805 3.206691 0.173420
N -6.212739 0.905929 0.835615
N -7.335553 1.696542 0.977303
N -8.243709 1.646139 -0.044832
C -0.211220 0.792407 0.659766
C 0.968559 1.199389 -0.292953
C 0.514278 -0.002130 -1.193898
C -1.752921 -1.024077 -0.336308
C -2.878532 -0.579948 0.334489
C -2.907096 0.680420 1.180476
C -4.173834 -1.349847 0.334472
C 3.100089 2.337563 0.215409
C -1.752847 -2.281621 -1.141029
C 4.528083 2.191029 0.822881
C 5.110638 0.782374 0.680742
C 5.040366 -0.148943 1.748682
C 5.717150 0.378914 -0.534714
C -6.431096 0.295147 -0.375983
C 5.546365 -1.458872 1.610870
C 6.226675 -0.925472 -0.688556
C 6.135575 -1.846635 0.386045
C -7.675995 0.752249 -0.912912
H 0.065375 0.459596 1.672387
H 0.795582 2.173637 -0.785849
H 2.767948 0.305947 0.467716
H -3.897862 1.159919 1.091107
H -2.772547 0.416908 2.247385
H -4.771502 -1.133744 1.234064
H -4.040426 -2.431667 0.205317
H 4.370787 2.374717 1.918462
H 4.827955 4.037169 -0.109595
H 6.246426 3.400751 0.639729
H -0.494925 -3.647724 -1.781585
H 4.602538 0.155931 2.708238
H 5.795927 1.114183 -1.341981
H 5.504320 -2.180578 2.431747
H 6.691333 -1.226115 -1.636985
H -8.171660 0.487324 -1.841869
H -7.478560 2.282798 1.796646
H 7.014489 -3.339991 -0.585298


