%chk=000111560.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111560

1 1
 S   -1.326200      -1.191700     -0.6032000    
 N   -2.745700      0.9032000      0.2765000    
 N    5.921700     -0.1998000      -1.087900    
 C   -3.718300     -8.8200003E-02 -2.7500000E-02
 C   -5.145400     -4.5699999E-02  7.5300001E-02
 C   -3.109900      -1.284800     -0.5050000    
 C   -1.438700      0.4686000      6.5000001E-03
 C   -3.082700       2.203600      0.8248000    
 C   -5.869800      -1.222700     -0.2941000    
 C   -3.826500      -2.412800     -0.8612000    
 C    5.540400     -0.3799000      0.1907000    
 C   -5.206400      -2.373600     -0.7489000    
 C    4.277100      9.9600002E-02  0.6024000    
 C   -5.942300       1.050700      0.5036000    
 C    3.442400      0.7568000     -0.3341000    
 C  -0.2874000       1.147200      0.1487000    
 C   -3.530500       3.163400     -0.2582000    
 C   -7.272100      -1.263400     -0.2165000    
 C    7.224600     -0.6794000      -1.565600    
 C    5.156100      0.4173000      -1.997800    
 C    3.908700      0.9075000      -1.648800    
 C    2.145400       1.278000     -1.7400000E-02
 C    1.004500      0.5853000     -0.1656000    
 C   -7.338800      0.9930000      0.5737000    
 C    6.380800      -1.031600       1.098800    
 C    3.882200     -9.0499997E-02   1.935900    
 C   -8.004400     -0.1650000      0.2153000    
 C    5.971700      -1.211300       2.419400    
 C    4.726600     -0.7426000       2.837100    
 C    8.262800      0.4086000      -1.376900    
 H   -2.213000       2.652300       1.319700    
 H   -3.792400       2.114300       1.651600    
 H   -3.334300      -3.311100      -1.219700    
 H   -5.769700      -3.262900      -1.028000    
 H   -5.533900       2.001200      0.8063000    
 H  -0.2927000       2.171800      0.5078000    
 H   -2.684700       3.423200     -0.9054000    
 H   -4.306900       2.756700     -0.9111000    
 H   -3.902200       4.091900      0.1865000    
 H   -7.816200      -2.164000     -0.4976000    
 H    7.497500      -1.631000      -1.105700    
 H    7.130200     -0.9108000      -2.634700    
 H    5.545400      0.5256000      -3.003700    
 H    3.305500       1.407200      -2.402900    
 H    2.128500       2.299000      0.3564000    
 H    1.107400     -0.4259000     -0.5430000    
 H   -7.899600       1.860400      0.9106000    
 H    7.369600      -1.399900      0.8533000    
 H    2.922200      0.2605000       2.305900    
 H   -9.087300     -0.2150000      0.2681000    
 H    6.626000      -1.712500       3.127200    
 H    4.413100     -0.8835000       3.867700    
 H    7.984300       1.320800      -1.914800    
 H    9.233100      7.5000003E-02  -1.757200    
 H    8.384100      0.6710000     -0.3216000    


%chk=000111560-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111560

1 1
S -1.715408 -0.924294 -1.720492
N -2.918896 0.296672 0.294559
N 6.004071 -0.813421 -0.670898
C -3.996354 -0.138085 -0.539608
C -5.422795 0.071388 -0.378567
C -3.524132 -0.869211 -1.651406
C -1.641929 0.014659 -0.175422
C -3.072797 0.881376 1.659374
C -6.289370 -0.604265 -1.336770
C -4.370404 -1.496800 -2.597703
C 5.887010 0.108661 0.393865
C -5.744936 -1.378891 -2.415282
C 4.574534 0.528651 0.830856
C -6.054621 0.909084 0.602772
C 3.366073 0.012990 0.168137
C -0.428973 0.381062 0.440153
C -3.024630 2.422076 1.675026
C -7.711467 -0.471792 -1.222575
C 7.336378 -1.256935 -1.185242
C 4.868627 -1.282588 -1.293675
C 3.591566 -0.903391 -0.912985
C 2.053605 0.397024 0.581827
C 0.849066 -0.013653 -0.014879
C -7.446137 1.025157 0.676607
C 7.052740 0.618036 1.036073
C 4.510020 1.456102 1.915728
C -8.289413 0.317035 -0.228499
C 6.940591 1.523244 2.098409
C 5.660104 1.947519 2.542813
C 7.974722 -0.240776 -2.153122
H -2.264609 0.463467 2.283760
H -4.011574 0.494873 2.082441
H -3.953453 -2.062600 -3.434987
H -6.434093 -1.865748 -3.112878
H -5.466947 1.509559 1.295501
H -0.473823 1.032626 1.319363
H -2.058835 2.799299 1.297546
H -3.819422 2.866323 1.052368
H -3.153750 2.786121 2.709665
H -8.342140 -0.998384 -1.947461
H 7.995414 -1.464760 -0.325832
H 7.177704 -2.220268 -1.699072
H 5.030517 -1.987306 -2.112811
H 2.757158 -1.342625 -1.461880
H 1.959112 1.071756 1.439088
H 0.890391 -0.678871 -0.889396
H -7.891284 1.679114 1.433491
H 8.048002 0.311921 0.708303
H 3.536677 1.800107 2.272739
H -9.376924 0.410613 -0.153239
H 7.845040 1.904368 2.582639
H 5.574170 2.657243 3.370895
H 7.332936 -0.077890 -3.036134
H 8.946989 -0.627710 -2.505340
H 8.149801 0.736238 -1.672141


