%chk=000034780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034780

0 1
 S   0.2921000      -1.330000       2.414800    
 S   -3.555100      0.7419000      0.4177000    
 O    1.699800      -1.921400      -1.976300    
 O   -2.007600      -2.517000      -2.265200    
 O    4.563200      -1.524200     -0.7404000    
 O   -1.336800     -0.3319000      -2.340800    
 O    6.286500      3.5900000E-02  0.7386000    
 N   0.2115000      -2.013400     -0.1494000    
 N    2.992500      -1.336300      0.9588000    
 N   -5.917200       2.063100      0.1312000    
 N   -6.141900     -9.2699997E-02  0.2004000    
 N   -7.233700       1.841900      1.0900000E-02
 N   -7.365100      0.5217000      5.3500000E-02
 C   0.6997000      -2.522400       1.119300    
 C    2.114200      -2.415500      0.5084000    
 C    1.377700      -2.102100     -0.8253000    
 C   -1.071500      -1.623400     -0.3629000    
 C   -1.924100      -1.403100      0.6660000    
 C   -1.505600      -1.470400       2.133000    
 C   -3.383200      -1.048000      0.5090000    
 C    4.159600     -0.9786000      0.2845000    
 C   -1.473900      -1.388500      -1.757600    
 C    4.888700      0.1873000      0.9374000    
 C    4.453900       1.512700      0.3576000    
 C   -5.309500      0.8835000      0.2408000    
 C    5.129800       2.029200     -0.7361000    
 C    3.387300       2.186500      0.9301000    
 C    4.728300       3.252900      -1.271700    
 C    2.985800       3.410300      0.3943000    
 C    3.656300       3.943300     -0.7066000    
 C   -5.401400       3.408700      0.1260000    
 H   0.3784000      -3.551800       1.318100    
 H    2.644400      -3.375000      0.4861000    
 H   -1.859100      -2.412100       2.567100    
 H   -1.964300     -0.6523000       2.697800    
 H    2.749600     -0.8142000       1.797200    
 H   -3.796700      -1.500700     -0.3986000    
 H   -3.964300      -1.447500       1.348300    
 H    4.722000      0.1823000       2.021200    
 H   -2.291900      -2.404300      -3.197200    
 H    6.565400     -0.7623000       1.219300    
 H    5.957800       1.504900      -1.203700    
 H    2.858000       1.779700       1.786900    
 H    5.248000       3.666600      -2.131000    
 H    2.150600       3.947700      0.8338000    
 H    3.342900       4.895600      -1.124300    
 H   -4.887900       3.588400       1.073500    
 H   -4.712600       3.514300     -0.7156000    
 H   -6.227800       4.116100      1.5600000E-02


%chk=000034780-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034780

0 1
S -0.091709 -0.958797 1.820830
S -4.330095 0.277144 -0.803124
O 1.366881 -1.018724 -2.450615
O -0.994033 -2.747604 -3.160200
O 4.636850 -2.184532 0.838514
O -2.958101 -1.537527 -2.884305
O 6.212104 -0.168332 1.606145
N -0.063263 -2.039859 -0.740046
N 2.759743 -0.839589 0.503936
N -5.355371 2.244287 0.904394
N -4.384195 0.580802 2.022562
N -5.463700 2.558216 2.283310
N -4.877292 1.541191 2.934108
C 0.561444 -2.236748 0.587242
C 1.954911 -1.895682 -0.062719
C 1.135431 -1.551942 -1.359094
C -1.439930 -1.869085 -0.989051
C -2.319064 -1.598259 0.045899
C -1.895107 -1.449979 1.497371
C -3.804212 -1.480330 -0.173406
C 4.052578 -1.059776 0.925898
C -1.892786 -2.002598 -2.404122
C 4.794528 0.142068 1.588456
C 4.531959 1.470143 0.888735
C -4.698246 1.043803 0.777894
C 5.313402 1.856194 -0.227155
C 3.479762 2.312108 1.328920
C 5.031826 3.061466 -0.905293
C 3.195671 3.517614 0.645633
C 3.968572 3.892011 -0.476745
C -5.901015 3.138836 -0.117571
H 0.429981 -3.246186 1.004036
H 2.596875 -2.786337 -0.175798
H -2.079364 -2.395641 2.042239
H -2.517077 -0.672948 1.981842
H 2.396242 0.118561 0.517510
H -4.188059 -2.129423 -0.971692
H -4.365832 -1.624959 0.761980
H 4.404295 0.198157 2.630252
H -1.277944 -2.748149 -4.113656
H 6.288726 -1.155628 1.460949
H 6.148143 1.218105 -0.533396
H 2.900155 2.046001 2.223235
H 5.641702 3.356404 -1.766510
H 2.384296 4.164884 0.996367
H 3.753009 4.826987 -1.005640
H -5.092726 3.566467 -0.734899
H -6.604532 2.592238 -0.768425
H -6.432632 3.950347 0.399707


