%chk=000039770.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039770

0 1
 S   -3.162700       1.500500      0.5196000    
 O    1.086500     -0.8961000     -0.5396000    
 O  -0.2488000       1.426900      0.4681000    
 O  -4.2599998E-02   2.422700      -1.611500    
 N   -2.169100       2.156300     -0.7148000    
 C    2.114900      -1.911800     -0.7229000    
 C    3.503500      -1.247300     -0.5733000    
 C    3.111400      3.0400001E-02  6.3000001E-02
 C    1.734500      0.1703000      2.5699999E-02
 C    1.891000      -2.997200      0.3377000    
 C    1.933500      -2.504700      -2.121100    
 C    3.911200       1.025100      0.5960000    
 C    1.100800       1.297300      0.5130000    
 C    3.292100       2.170600       1.102900    
 C    1.895100       2.306200       1.060800    
 C  -0.7739000       2.037300     -0.6992000    
 C   -2.728700     -0.2284000      0.3785000    
 C   -2.167100     -0.9326000       1.443500    
 C   -2.863000       2.760600      -1.843300    
 C   -2.964900     -0.8726000     -0.8360000    
 C   -1.841600      -2.280800       1.294200    
 C   -1.894600     -0.2872000       2.764600    
 C   -2.639600      -2.220700     -0.9855000    
 C   -2.078000      -2.924700      7.9599999E-02
 H    3.973100      -1.047700      -1.542700    
 H    4.188500      -1.833900      4.6300001E-02
 H    2.640200      -3.792000      0.2600000    
 H    1.933900      -2.577400       1.349000    
 H   0.9001000      -3.449500      0.2306000    
 H    2.676400      -3.281600      -2.328000    
 H   0.9333000      -2.938400      -2.234000    
 H    2.019000      -1.726400      -2.888000    
 H    4.991000      0.9264000      0.6181000    
 H    3.896400       2.966800       1.528900    
 H    1.435900       3.207700       1.458400    
 H   -3.527200       3.551300      -1.480400    
 H   -3.447200       1.996800      -2.364800    
 H   -2.154000       3.199100      -2.550900    
 H   -3.408800     -0.3517000      -1.680000    
 H   -1.401600      -2.846000       2.111600    
 H   -1.445800     -0.9922000       3.473700    
 H   -1.197400      0.5491000       2.671300    
 H   -2.827100      6.5800004E-02   3.217800    
 H   -2.824200      -2.722800      -1.930700    
 H   -1.824000      -3.974100     -3.7300002E-02


%chk=000039770-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039770

0 1
S -2.824919 1.483669 0.692081
O 1.605845 -0.565235 -0.518482
O 0.082896 1.760138 0.464326
O 0.222266 2.006959 -1.879976
N -1.850442 1.751862 -0.818225
C 2.701619 -1.631796 -0.678735
C 4.045170 -0.871391 -0.397010
C 3.597480 0.429434 0.254412
C 2.196676 0.535968 0.102217
C 2.406553 -2.705156 0.383728
C 2.572484 -2.158953 -2.110968
C 4.320421 1.452995 0.891195
C 1.501224 1.673342 0.554960
C 3.621187 2.591761 1.370303
C 2.221263 2.701964 1.195817
C -0.467513 1.836027 -0.847434
C -3.311553 -0.302742 0.514042
C -2.537139 -1.343089 1.106359
C -2.594999 1.844329 -2.088928
C -4.516707 -0.582803 -0.175322
C -3.015221 -2.672629 0.954860
C -1.271491 -1.075355 1.897546
C -4.969772 -1.913371 -0.310816
C -4.209202 -2.960681 0.256557
H 4.585460 -0.670935 -1.342218
H 4.710988 -1.470085 0.249989
H 3.122857 -3.542882 0.294487
H 2.489618 -2.280718 1.400422
H 1.384321 -3.100285 0.252064
H 3.345710 -2.924242 -2.308397
H 1.579883 -2.615070 -2.269057
H 2.693663 -1.336981 -2.836913
H 5.406467 1.378259 1.014370
H 4.165321 3.397337 1.873620
H 1.672141 3.578480 1.553864
H -3.424874 2.563554 -1.981620
H -3.001508 0.857558 -2.378636
H -1.901721 2.186214 -2.873323
H -5.099386 0.246873 -0.589775
H -2.438460 -3.491301 1.401813
H -0.704966 -2.009390 2.055485
H -0.619452 -0.344735 1.393657
H -1.513601 -0.652447 2.891368
H -5.901210 -2.126056 -0.846118
H -4.546976 -3.998993 0.161312


