%chk=000152202.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152202

0 1
 S   -1.665300       1.722500     -0.1801000    
 S  -0.8722000      -2.903000     -0.6477000    
 O   -1.415400       2.855700      0.6954000    
 O   -2.497600       1.891200      -1.359500    
 O   -5.370900     -0.9315000     -0.5306000    
 O   -4.898400      0.9472000      0.6484000    
 N   -2.278600      0.4290000      0.7493000    
 N    4.500700     -0.3444000      4.6100002E-02
 C   -3.100900     -0.6097000      0.1127000    
 C  -0.1174000       1.087100     -0.7179000    
 C   0.9668000      0.8869000      0.1519000    
 C    2.180100      0.3703000     -0.3620000    
 C   -2.994800      -1.923100      0.8939000    
 C    3.264200      0.1697000      0.5080000    
 C  -6.8999999E-03  0.7825000      -2.074900    
 C   0.8735000       1.187600       1.520600    
 C    2.273400      6.9300003E-02  -1.730500    
 C   -1.591700      -2.530200      0.9782000    
 C    1.186000      0.2745000      -2.580300    
 C    3.153800      0.4741000       1.865100    
 C   -4.524100     -9.4200000E-02  0.1253000    
 C    1.960700      0.9819000       2.370300    
 C    4.737900      -1.770900      3.7099998E-02
 C    5.528800      0.5533000     -0.4327000    
 C   0.7083000      -3.575700     -8.6199999E-02
 H   -2.799200     -0.7417000     -0.9309000    
 H   -2.397000      0.5584000       1.761800    
 H   -3.674300      -2.666600      0.4565000    
 H   -3.355600      -1.764500       1.919600    
 H  -0.8281000      0.9212000      -2.771200    
 H  -2.7700000E-02   1.549500       1.998900    
 H    3.184900     -0.3284000      -2.169600    
 H  -0.9217000      -1.847500       1.511200    
 H   -1.644500      -3.460500       1.553900    
 H    1.271000      3.5900000E-02  -3.636500    
 H    3.992000      0.3173000       2.539500    
 H    1.873500       1.210100       3.428700    
 H    5.788800      -2.007500     -0.1606000    
 H    4.482400      -2.214600       1.005800    
 H    4.133300      -2.259100     -0.7343000    
 H    6.294300      2.3499999E-02  -1.009500    
 H    5.108500       1.326500      -1.085200    
 H    6.023000       1.047000      0.4106000    
 H   -6.293000     -0.5967000     -0.5244000    
 H    1.258000      -2.827900      0.4915000    
 H   0.5480000      -4.468000      0.5244000    
 H    1.311100      -3.852600     -0.9552000    


%chk=000152202-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152202

0 1
S -1.686346 1.834990 0.092522
S -1.117403 -3.209702 -0.462235
O -1.416317 2.945820 1.248461
O -2.623999 2.185963 -1.200224
O -4.985779 -0.603212 -1.401258
O -5.210115 0.682934 0.524862
N -2.398134 0.357885 1.032200
N 4.570098 -0.509550 -0.220798
C -3.125537 -0.583201 0.148364
C -0.078224 1.099479 -0.599406
C 1.002643 0.732868 0.267002
C 2.203182 0.237447 -0.393420
C -3.250852 -1.949648 0.891114
C 3.361678 -0.118254 0.415013
C -0.065046 0.974112 -1.983123
C 0.943715 0.784915 1.697428
C 2.190382 0.048486 -1.813312
C -1.884588 -2.597912 1.162798
C 1.090058 0.406318 -2.595646
C 3.233654 -0.110461 1.818000
C -4.525451 -0.069785 -0.202402
C 2.033284 0.331127 2.443338
C 5.520314 -1.339044 0.536301
C 5.243464 0.439006 -1.139752
C 0.664258 -3.391791 0.117080
H -2.542106 -0.747541 -0.774606
H -3.047856 0.804971 1.715827
H -3.884762 -2.622208 0.281958
H -3.772638 -1.787466 1.854479
H -0.934918 1.289226 -2.568981
H 0.054335 1.179597 2.193100
H 3.056081 -0.427901 -2.282081
H -1.195529 -1.860047 1.606943
H -1.997185 -3.462990 1.838507
H 1.098976 0.239350 -3.676989
H 4.082167 -0.397058 2.446189
H 1.985357 0.353624 3.537677
H 6.233962 -1.797630 -0.171724
H 6.112566 -0.761850 1.284287
H 4.985895 -2.149024 1.060036
H 5.726487 -0.102728 -1.974756
H 4.522936 1.157530 -1.556403
H 6.027319 1.019638 -0.604141
H -5.898572 -0.256876 -1.596483
H 1.049671 -2.422002 0.468622
H 0.730826 -4.146974 0.916608
H 1.245749 -3.726529 -0.756074


