%chk=000145794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145794

0 1
 S   -3.695100       1.525600      0.2761000    
 O    1.223200     -0.9331000      -1.518900    
 O  -0.6790000      -1.702300      0.2088000    
 N    1.291400     -0.2570000     -0.3318000    
 N    5.032800     -0.4231000      8.2599998E-02
 C    2.682000      0.2475000     -8.2900003E-02
 C    3.668700     -0.9058000     -9.0899996E-02
 C   0.2954000      0.8103000     -0.2930000    
 C   -1.074200      0.5859000     -6.7500003E-02
 C   -1.954500       1.669800     -2.1900000E-02
 C    5.984300      -1.534900      3.1199999E-02
 C    5.167200      0.3009000       1.348200    
 C   0.7846000       2.103300     -0.4736000    
 C   -1.446500       2.967600     -0.2040000    
 C   -1.522900     -0.8149000      0.1146000    
 C  -8.7099999E-02   3.183300     -0.4294000    
 C   -2.957900      -1.179500      0.1754000    
 C   -3.975100     -0.2236000      0.2384000    
 C    5.862700      -2.301500      -1.274900    
 C    6.567700      0.8670000       1.510800    
 C   -2.319800       4.186300     -0.1683000    
 C   -3.286900      -2.546500      0.1693000    
 C   -5.311800     -0.6544000      0.2939000    
 C   -4.617500      -2.958900      0.2230000    
 C   -5.631400      -2.012000      0.2850000    
 H    2.963600      0.9018000     -0.9134000    
 H    2.624300      0.7551000      0.8833000    
 H    1.094500     -0.8975000      0.4614000    
 H    3.396900      -1.635200      0.6840000    
 H    3.562100      -1.412900      -1.054100    
 H    7.013300      -1.162500      6.0500000E-02
 H    5.855900      -2.223900      0.8756000    
 H    4.513500       1.177100       1.373100    
 H    4.915400     -0.3276000       2.211500    
 H    1.812300       2.376900     -0.6678000    
 H   0.3073000       4.185700     -0.5743000    
 H    4.984700      -2.954500      -1.298300    
 H    5.836200      -1.631600      -2.141200    
 H    6.734900      -2.954100      -1.397000    
 H    7.303500      9.7499996E-02   1.763500    
 H    6.899500       1.396000      0.6108000    
 H    6.578200       1.589200       2.335200    
 H   -3.081600       4.143600     -0.9539000    
 H   -2.797800       4.294900      0.8109000    
 H   -1.746600       5.104900     -0.3398000    
 H   -2.516700      -3.312500      0.1185000    
 H   -6.126800      6.5200001E-02  0.3465000    
 H   -4.859700      -4.017400      0.2160000    
 H   -6.669900      -2.326500      0.3279000    


%chk=000145794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000145794

0 1
S -3.404730 1.641226 0.275094
O 2.036112 0.047084 -2.912656
O -0.147777 -1.531196 -0.121021
N 1.422089 -0.067436 -1.629289
N 4.565963 -0.873378 0.393700
C 2.473420 0.087894 -0.511432
C 3.548989 -0.998479 -0.676051
C 0.329585 0.958195 -1.436399
C -0.852913 0.707135 -0.658580
C -1.818795 1.768552 -0.613586
C 5.949490 -1.161221 -0.069456
C 4.192358 -1.599652 1.637180
C 0.526805 2.157288 -2.126049
C -1.617056 3.015682 -1.271508
C -1.049966 -0.611616 -0.006737
C -0.428972 3.186346 -2.017967
C -2.276379 -0.926606 0.770054
C -3.358719 -0.028477 0.968599
C 6.535807 -0.030944 -0.936403
C 4.823105 -0.992173 2.905094
C -2.644464 4.128824 -1.198629
C -2.362332 -2.221742 1.364216
C -4.491025 -0.408757 1.733717
C -3.478040 -2.604583 2.121231
C -4.549731 -1.690987 2.307332
H 2.915059 1.088465 -0.637116
H 1.964279 0.014657 0.466459
H 0.970195 -1.004308 -1.456561
H 3.067551 -2.007306 -0.682058
H 4.005207 -0.854204 -1.668833
H 6.584935 -1.284000 0.826721
H 5.997752 -2.129808 -0.628344
H 3.091242 -1.556069 1.735075
H 4.455952 -2.685709 1.566333
H 1.415550 2.214327 -2.763156
H -0.261177 4.139575 -2.531673
H 5.936970 0.137317 -1.849460
H 6.558362 0.913607 -0.365118
H 7.566393 -0.280594 -1.251762
H 5.927291 -1.024426 2.872274
H 4.518433 0.063554 3.012220
H 4.498881 -1.549774 3.803925
H -3.615956 3.816864 -1.628242
H -2.838419 4.439375 -0.154095
H -2.298205 5.014047 -1.756506
H -1.518820 -2.898822 1.199658
H -5.316974 0.296989 1.874061
H -3.523948 -3.602950 2.567621
H -5.426076 -1.980086 2.897224


