%chk=000045444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045444

0 1
 S   0.3887000     -0.2104000       1.439100    
 O    2.776400      -1.911300      0.5597000    
 N   -3.320800      0.2301000     -0.1591000    
 C   -2.282600     -0.1331000      0.8048000    
 C   -4.645700     -8.5400000E-02  0.3737000    
 C   -3.103000     -0.4606000      -1.429600    
 C  -0.9116000      0.2357000      0.2520000    
 C   -4.889500      0.6243000       1.694700    
 C   -4.137600     -4.8400000E-02  -2.463000    
 C    1.859900      0.3151000      0.5667000    
 C    2.867400     -0.5898000      0.2363000    
 C    1.984900       1.659200      0.2189000    
 C    4.002900     -0.1496000     -0.4436000    
 C    3.120500       2.099500     -0.4612000    
 C    4.129400       1.195200     -0.7923000    
 C    2.160700      -2.770500     -0.3970000    
 H   -2.327500      -1.204100       1.044600    
 H   -2.403700      0.4262000       1.738700    
 H   -5.428300      0.2729000     -0.3030000    
 H   -4.789500      -1.165300      0.5043000    
 H   -2.151100     -0.1748000      -1.883800    
 H   -3.104700      -1.551500      -1.313400    
 H  -0.8668000       1.307300      3.2099999E-02
 H  -0.6527000     -0.3208000     -0.6506000    
 H   -4.355600      0.1561000       2.527500    
 H   -4.618400       1.684500       1.644900    
 H   -5.955600      0.5740000       1.944500    
 H   -5.118100     -0.4969000      -2.275400    
 H   -4.247900       1.040300      -2.516300    
 H   -3.823600     -0.3926000      -3.455100    
 H    1.219300       2.386900      0.4752000    
 H    4.793900     -0.8475000     -0.7048000    
 H    3.220500       3.146900     -0.7304000    
 H    5.013900       1.538200      -1.321100    
 H    2.791400      -2.855700      -1.287600    
 H    1.167300      -2.408400     -0.6791000    
 H    2.055700      -3.762300      5.1399998E-02


%chk=000045444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045444

0 1
S 0.175952 -1.268094 0.263602
O 2.872328 -2.154181 0.605591
N -3.702892 0.075292 -0.317933
C -2.568044 -0.780875 0.111693
C -4.890084 -0.027121 0.572745
C -4.034407 -0.097715 -1.759314
C -1.229461 -0.077530 -0.182014
C -4.698227 0.706827 1.913641
C -4.704214 1.144584 -2.377048
C 1.644015 -0.243582 -0.128371
C 2.918418 -0.845111 0.101730
C 1.595404 1.073477 -0.633764
C 4.108554 -0.134593 -0.172380
C 2.786915 1.787420 -0.909552
C 4.039840 1.184870 -0.679873
C 4.142200 -2.829200 0.872437
H -2.589155 -1.781756 -0.383766
H -2.642740 -0.963215 1.198596
H -5.745429 0.429656 0.042839
H -5.168413 -1.095205 0.760949
H -3.089956 -0.293675 -2.300844
H -4.680819 -0.997535 -1.921238
H -1.145019 0.836968 0.427137
H -1.145491 0.182229 -1.251413
H -3.858713 0.287630 2.497491
H -4.487000 1.775370 1.734529
H -5.610343 0.623281 2.533812
H -5.668878 1.378697 -1.891395
H -4.046757 2.024409 -2.266546
H -4.903163 0.981013 -3.452753
H 0.632268 1.558258 -0.816056
H 5.083670 -0.598508 0.004617
H 2.725862 2.808392 -1.300867
H 4.964927 1.731729 -0.891635
H 4.733675 -2.286688 1.635619
H 4.740813 -2.940498 -0.052861
H 3.862862 -3.821619 1.255295


