%chk=000176563.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176563

0 1
 S   -4.383400      -1.609500      0.1357000    
 O   -4.754500      -2.287000      -1.092900    
 O   -4.716000      -2.214100       1.412500    
 O    4.322100       2.126900      0.5235000    
 O    4.351200      -3.593900      5.8899999E-02
 O    5.718500      0.7207000     -0.5896000    
 O    5.867100      -1.901700     -1.2900000E-02
 N   -4.970700      1.1500000E-02  9.7099997E-02
 N    1.486500     -0.8619000      2.4100000E-02
 N    2.303600      -1.937200      4.1900001E-02
 C   -2.627000      -1.385200      0.1024000    
 C   -4.572300      0.9198000       1.202400    
 C   -4.994000      0.7086000      -1.213900    
 C   0.1152000      -1.036700      5.0099999E-02
 C    2.170100      0.3270000     -2.0600000E-02
 C   -1.978500      -1.335400      -1.117700    
 C   -1.941500      -1.265500       1.297000    
 C  -0.5950000      -1.159500      -1.144000    
 C  -0.5579000      -1.089600       1.270700    
 C    3.505000      4.1999999E-03 -3.1800002E-02
 C    1.523200       1.621000     -4.8099998E-02
 C   -5.649300       1.963200       1.420400    
 C   -6.312900      0.4430000      -1.911200    
 C    3.527300      -1.402800      7.7000000E-03
 C    1.194900       2.205700      -1.268800    
 C    1.232100       2.276400       1.145800    
 C    4.601300      0.9274000     -7.4800000E-02
 C    4.675600      -2.265200      1.5200000E-02
 C   0.5716000       3.453300      -1.295800    
 C   0.6089000       3.524000       1.118800    
 C   0.2787000       4.112400     -0.1020000    
 H   -4.461500      0.3489000       2.130000    
 H   -3.612500       1.398300      0.9797000    
 H   -4.835700       1.786500      -1.119900    
 H   -4.172200      0.3557000      -1.844200    
 H   -2.511900      -1.429200      -2.058200    
 H   -2.447000      -1.300300       2.256900    
 H  -8.3700001E-02  -1.119900      -2.102800    
 H  -1.7500000E-02 -0.9942000       2.209500    
 H   -5.420900       2.551600       2.315200    
 H   -6.627800       1.493300       1.567700    
 H   -5.738800       2.666500      0.5883000    
 H   -6.341300      0.9584000      -2.876400    
 H   -7.151700      0.8060000      -1.308000    
 H   -6.474400     -0.6227000      -2.095400    
 H    1.416800       1.704400      -2.207800    
 H    1.482700       1.830600       2.105400    
 H   0.3142000       3.911300      -2.246300    
 H   0.3803000       4.037200       2.048400    
 H  -0.2069000       5.083600     -0.1229000    
 H    5.086000       2.740700      0.4794000    
 H    5.150700      -4.162400      6.3500002E-02


%chk=000176563-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176563

0 1
S -4.554057 -1.305497 0.857706
O -4.957752 -2.730152 0.191393
O -4.797517 -0.978679 2.434944
O 5.117718 1.473873 0.866206
O 3.982403 -3.257044 -2.054514
O 5.649904 0.740738 -1.272869
O 5.633981 -2.304114 -0.719226
N -5.509236 0.056393 -0.096587
N 1.440523 -0.620743 -0.134624
N 2.094238 -1.729455 -0.671970
C -2.694195 -1.074056 0.541510
C -5.367715 1.364653 0.615243
C -5.135071 0.079258 -1.547476
C 0.028225 -0.745855 0.105684
C 2.318014 0.441910 0.145819
C -2.098595 -1.769877 -0.524688
C -1.970780 -0.246610 1.416354
C -0.716917 -1.600735 -0.744297
C -0.586953 -0.086775 1.198865
C 3.597666 -0.025795 -0.223152
C 1.860856 1.789924 0.557939
C -6.631015 2.215172 0.372832
C -5.838604 -1.017061 -2.364572
C 3.401455 -1.356926 -0.728406
C 0.903472 2.483376 -0.233072
C 2.373447 2.408249 1.727899
C 4.866444 0.732206 -0.299000
C 4.455901 -2.315227 -1.140687
C 0.462666 3.768196 0.145950
C 1.923252 3.691611 2.107367
C 0.967195 4.374627 1.320795
H -5.284553 1.143678 1.694814
H -4.455178 1.918768 0.296446
H -5.460519 1.073736 -1.909524
H -4.030468 0.046341 -1.694414
H -2.693475 -2.450168 -1.142456
H -2.466976 0.219761 2.273256
H -0.202811 -2.136021 -1.546109
H 0.002399 0.525159 1.885193
H -6.551503 3.167522 0.928867
H -7.524498 1.672316 0.722891
H -6.769767 2.455784 -0.696646
H -5.579741 -0.913532 -3.434913
H -6.932682 -0.926315 -2.255105
H -5.550087 -2.023412 -2.020279
H 0.520360 2.021986 -1.150166
H 3.123521 1.884341 2.326042
H -0.266536 4.297861 -0.476343
H 2.321348 4.157649 3.014991
H 0.622424 5.371666 1.615953
H 5.968898 1.976901 0.742384
H 4.717689 -3.895405 -2.264048


