%chk=000066522.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066522

0 1
 S    4.205700      0.1593000     -6.1200000E-02
 O  -0.7049000       2.421700     -2.1500001E-02
 O   -1.816400      -2.805000      2.9000000E-03
 O    4.481700      0.7953000       1.417400    
 O    5.003200      -1.051700     -0.1627000    
 O    4.331100       1.221000      -1.044500    
 N    1.848200       2.000600     -3.9900001E-02
 C   0.1546000      0.2109000     -2.1600001E-02
 C  -0.1471000      -1.152500     -1.6000001E-02
 C    1.490100      0.6306000     -3.5300002E-02
 C   -2.331300      0.7609000      2.2000000E-03
 C   -2.632900     -0.6025000      8.3999997E-03
 C  -0.9266000       1.217400     -1.3500000E-02
 C    2.517500     -0.3133000     -4.3499999E-02
 C   -1.551800      -1.609100     -1.1000000E-03
 C   0.8870000      -2.096400     -2.4200000E-02
 C    2.216600      -1.673900     -3.7999999E-02
 C   -3.365300       1.704800      1.0800000E-02
 C   -3.968600      -1.022200      2.3300000E-02
 C   -4.694900       1.282400      2.5900001E-02
 C   -4.995900     -7.8199998E-02  3.2200001E-02
 H   0.6781000      -3.162800     -1.9300001E-02
 H    2.991200      -2.434800     -4.1600000E-02
 H   -3.159900       2.771900      6.3000000E-03
 H   -4.229500      -2.077100      2.8300000E-02
 H    2.815100       2.291000     -2.1299999E-02
 H    1.134500       2.715400     -3.5200000E-02
 H   -5.496600       2.015200      3.2699998E-02
 H   -6.031800     -0.4044000      4.3800000E-02
 H    4.353900      0.1768000       2.174800    


%chk=000066522-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066522

0 1
S 4.297098 0.069693 0.000656
O -0.751850 2.529912 -0.097574
O -1.866663 -2.870295 0.072578
O 4.429388 0.208887 1.846733
O 5.180147 -1.189040 -0.492062
O 4.579013 1.547983 -0.624422
N 1.818475 2.027982 -0.139552
C 0.105787 0.265695 -0.038791
C -0.193036 -1.130545 0.006470
C 1.494938 0.707567 -0.069441
C -2.394594 0.779944 -0.026673
C -2.703189 -0.609715 0.017506
C -0.982737 1.262927 -0.056478
C 2.479356 -0.339735 -0.040325
C -1.615691 -1.624784 0.035250
C 0.826463 -2.105410 0.014090
C 2.176652 -1.704600 0.001033
C -3.445516 1.729724 -0.042469
C -4.054978 -1.033523 0.044826
C -4.787991 1.301518 -0.015263
C -5.094397 -0.082883 0.028290
H 0.542702 -3.160162 0.042424
H 2.989877 -2.437725 0.013166
H -3.183341 2.791274 -0.076236
H -4.260183 -2.108020 0.078673
H 2.799123 2.312101 -0.256455
H 1.025373 2.690312 -0.146911
H -5.596868 2.039564 -0.027978
H -6.138595 -0.411815 0.049101
H 5.380237 0.434470 2.068435


