%chk=000153758.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153758

0 1
 S    3.434400      3.7200000E-02  -1.537900    
 O    2.300000      0.6096000      -2.257500    
 O    4.747500      0.6698000      -1.609100    
 N   0.6153000      1.7700000E-02 -0.3765000    
 N   -3.554500     -3.5700001E-02  4.6900000E-02
 N    3.598300      -1.598000      -2.044800    
 C  -0.7987000     -3.0000001E-04 -0.2328000    
 C   -1.506500       1.205200     -0.1877000    
 C   -1.470200      -1.223400     -0.1381000    
 C   -2.902800       1.139700     -4.4799998E-02
 C   -2.867900      -1.193900      2.7000001E-03
 C    1.657700      5.1500000E-02  0.5589000    
 C    2.999800      6.3600004E-02  0.1581000    
 C  -0.8575000       2.448700     -0.2808000    
 C  -0.7843000      -2.449800     -0.1808000    
 C   -3.613000       2.336400      7.9999998E-04
 C   -3.542200      -2.408400      9.7599998E-02
 C    1.352700      7.5000003E-02   1.925500    
 C    4.020000      9.8499998E-02   1.108700    
 C   -1.590600       3.630500     -0.2326000    
 C   -1.482000      -3.650200     -8.3899997E-02
 C   -2.971200       3.573900     -9.1499999E-02
 C   -2.863800      -3.628900      5.5700000E-02
 C    2.373000      0.1097000       2.876100    
 C    3.706600      0.1215000       2.467800    
 H   0.8898000     -0.2139000      -1.324900    
 H   0.2203000       2.528800     -0.3969000    
 H   0.2953000      -2.503000     -0.2940000    
 H   -4.695900       2.318500      0.1108000    
 H   -4.625200      -2.418200      0.2074000    
 H   0.3241000      6.6699997E-02   2.276600    
 H    5.067400      9.7300000E-02  0.8210000    
 H   -1.087300       4.589600     -0.3059000    
 H  -0.9501000      -4.596000     -0.1183000    
 H   -3.552900       4.490300     -5.3100001E-02
 H   -3.417900      -4.559900      0.1318000    
 H    2.129200      0.1270000       3.934400    
 H    4.500800      0.1461000       3.208300    
 H    3.152500      -2.301500      -1.440300    
 H    4.552200      -1.889900      -2.297400    


%chk=000153758-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153758

0 1
S 3.562174 -0.623489 -1.519665
O 2.513682 -0.154455 -2.694493
O 5.164908 -0.447056 -1.721461
N 0.682110 0.078790 -0.538791
N -3.565546 -0.150255 0.186875
N 3.086274 -2.401122 -1.292702
C -0.725735 0.020340 -0.270054
C -1.482328 1.202486 -0.025858
C -1.380821 -1.245088 -0.300274
C -2.917127 1.056783 0.215693
C -2.825225 -1.273624 -0.074875
C 1.669414 0.294838 0.414904
C 3.055586 0.097493 0.124950
C -0.907076 2.521733 -0.030459
C -0.681596 -2.483050 -0.529383
C -3.698521 2.236636 0.481100
C -3.508415 -2.539539 -0.117044
C 1.381431 0.720340 1.751359
C 4.100996 0.369598 1.025859
C -1.698601 3.638256 0.220198
C -1.380876 -3.686514 -0.557671
C -3.105328 3.494856 0.487299
C -2.805363 -3.715819 -0.356814
C 2.413451 0.973190 2.670409
C 3.779965 0.824385 2.319151
H 1.005514 -0.119963 -1.503044
H 0.160357 2.631657 -0.246203
H 0.405612 -2.465049 -0.670152
H -4.767645 2.095432 0.666217
H -4.589974 -2.529899 0.048209
H 0.337896 0.855963 2.047597
H 5.138071 0.224985 0.703714
H -1.252450 4.638616 0.208436
H -0.844388 -4.626260 -0.729371
H -3.708895 4.387196 0.686065
H -3.333426 -4.675265 -0.387826
H 2.148464 1.304429 3.680575
H 4.572354 1.046150 3.039256
H 3.799213 -2.879029 -0.714409
H 3.004264 -2.816878 -2.237816


