%chk=000178422.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178422

0 1
 S    1.032500       1.754600     -0.9511000    
 O   -3.428400      0.3177000      0.4161000    
 O   -2.383700       1.060500       2.321900    
 N   -2.036100       1.086700      -1.201200    
 N    3.288600      0.3421000      -1.190100    
 N    2.969500       1.365500      0.8200000    
 C  -9.3300000E-02  0.9954000      0.2807000    
 C   -1.496100       1.537400      9.5500000E-02
 C  -2.9000000E-03 -0.5209000      0.2234000    
 C   -2.455100      0.9673000       1.108700    
 C    2.524500       1.122900     -0.3838000    
 C    4.475000     -5.9000000E-02 -0.4954000    
 C    4.271300      0.6269000      0.8663000    
 C  -0.1429000      -1.243900       1.391500    
 C   0.2159000      -1.132400     -0.9951000    
 C   -3.105700      0.4357000     -0.8828000    
 C  -6.0300000E-02  -2.635400       1.339000    
 C   0.2985000      -2.524000      -1.047600    
 C   -4.031700     -0.2222000      -1.835500    
 C   0.1604000      -3.275300      0.1195000    
 H   0.2698000       1.323300       1.263800    
 H   -1.544500       2.631300      0.1509000    
 H    5.376300      0.3049000     -0.9970000    
 H    4.529900      -1.146600     -0.3918000    
 H    4.241300     -0.1108000       1.675200    
 H    5.082500       1.332500       1.074600    
 H    3.068100      6.9899999E-02  -2.139800    
 H  -0.3035000     -0.7576000       2.348500    
 H   0.2832000     -0.6014000      -1.938300    
 H  -0.1659000      -3.220300       2.247800    
 H   0.4598000      -3.023600      -1.998400    
 H   -4.027500      -1.301400      -1.661600    
 H   -3.716200     -2.6200000E-02  -2.863800    
 H   -5.042900      0.1681000      -1.693900    
 H   0.2227000      -4.358800      7.8299999E-02


%chk=000178422-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178422

0 1
S 1.280743 0.888079 -1.491432
O -3.406678 0.687978 0.425102
O -1.962566 1.202413 2.212883
N -1.986525 0.954462 -1.412516
N 4.022706 1.106140 -1.182209
N 2.869863 0.914539 0.806429
C 0.104450 0.407524 -0.049659
C -1.176977 1.265407 -0.201426
C -0.124595 -1.089182 0.039207
C -2.134045 1.072849 1.000046
C 2.812747 0.957106 -0.504598
C 5.131309 1.039441 -0.196642
C 4.327334 1.046457 1.162119
C 0.167749 -1.751737 1.258993
C -0.631456 -1.843165 -1.052384
C -3.184882 0.647582 -1.005158
C -0.056147 -3.141048 1.391842
C -0.851453 -3.230742 -0.918951
C -4.372808 0.251871 -1.811230
C -0.568000 -3.884167 0.304357
H 0.657628 0.763801 0.839871
H -0.864223 2.326424 -0.243459
H 5.808334 1.907047 -0.289447
H 5.724709 0.112470 -0.324112
H 4.624928 0.217160 1.826666
H 4.474929 1.993631 1.712663
H 4.144031 0.939734 -2.179483
H 0.574599 -1.176727 2.098132
H -0.831593 -1.341704 -2.005364
H 0.171949 -3.640432 2.340075
H -1.237462 -3.805212 -1.768858
H -4.716830 -0.755381 -1.516311
H -4.109623 0.252992 -2.879156
H -5.210911 0.949409 -1.636664
H -0.738130 -4.962120 0.405173


