%chk=000165082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165082

1 1
 S    3.534700       1.110000      -1.365400    
 O   -1.415200      0.8979000     -0.5434000    
 O    3.092900       2.437500      -1.757300    
 O    4.273800      0.2782000      -2.299600    
 N   -6.117900      0.8529000      0.1952000    
 N   -1.400700      -1.863100      0.2091000    
 C    2.128300      0.1671000     -0.8905000    
 C    2.199500      -1.186500     -0.5314000    
 C    1.018400      -1.879300     -0.1598000    
 C  -0.2198000      -1.186800     -0.1581000    
 C  -0.2512000      0.1668000     -0.5232000    
 C   0.9111000      0.8413000     -0.8870000    
 C   -2.581200      0.2442000     -0.1847000    
 C   -5.001000      0.2192000      0.1959000    
 C   -2.509100      -1.190100      0.1961000    
 C   -3.747000      0.8993000     -0.1836000    
 C    3.432600      -1.859300     -0.5376000    
 C    1.133600      -3.241200      0.1946000    
 C    4.541600       1.355300      6.7900002E-02
 C   -6.196700       2.286900     -0.1847000    
 C   -7.389600      0.1853000      0.5741000    
 C   -4.941000      -1.204400      0.5758000    
 C   -3.776800      -1.857100      0.5743000    
 C    3.515500      -3.204200     -0.1828000    
 C    2.367300      -3.894700      0.1831000    
 C   -6.409400       2.396500      -1.679300    
 C   -7.594300      0.3121000       2.068500    
 C    5.525400      0.4298000      0.3674000    
 C    4.324900       2.467100      0.8623000    
 C    6.318500      0.6223000       1.498700    
 C    5.118100       2.659800       1.993400    
 C    6.114800       1.737300       2.311600    
 H   0.8328000       1.890100      -1.158200    
 H   -3.725100       1.935500     -0.4949000    
 H    4.353600      -1.453400     -0.9011000    
 H   0.2571000      -3.816700      0.4857000    
 H   -5.338000       2.852000      0.1857000    
 H   -7.062800       2.715300      0.3344000    
 H   -8.201400      0.7074000      5.3100001E-02
 H   -7.431500     -0.8427000      0.2060000    
 H   -5.811200      -1.764100      0.8911000    
 H   -3.728500      -2.901900      0.8628000    
 H    4.471700      -3.718400     -0.2143000    
 H    2.427100      -4.944500      0.4550000    
 H   -6.509200       3.448400      -1.966200    
 H   -7.320400       1.878100      -1.998500    
 H   -5.573000       1.975300      -2.246700    
 H   -8.548300     -0.1426000       2.354700    
 H   -6.803700     -0.1886000       2.637000    
 H   -7.618000       1.360300       2.387000    
 H    5.798700     -0.3908000     -0.2801000    
 H    3.548400       3.192000      0.6383000    
 H    7.110900     -8.2500003E-02   1.733900    
 H    4.959000       3.527200       2.627200    
 H    6.735800       1.890000       3.189400    


%chk=000165082-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165082

1 1
S 3.679184 1.058859 -1.476844
O -1.390755 0.759601 -0.511504
O 2.972809 2.447684 -1.973168
O 4.617040 0.148972 -2.455355
N -6.171062 0.919690 0.217419
N -1.365841 -1.988356 0.267609
C 2.158612 -0.021579 -0.903049
C 2.267183 -1.413877 -0.573903
C 1.051773 -2.088806 -0.150398
C -0.202711 -1.352492 -0.118679
C -0.200350 0.026142 -0.511528
C 0.971792 0.701212 -0.900396
C -2.580119 0.126722 -0.131623
C -4.987933 0.230562 0.223314
C -2.517192 -1.275257 0.257948
C -3.752288 0.863107 -0.156666
C 3.486276 -2.161749 -0.647764
C 1.103822 -3.461940 0.214671
C 4.648739 1.434143 0.107406
C -6.236457 2.376521 -0.096045
C -7.482430 0.273298 0.518542
C -4.945945 -1.174647 0.622719
C -3.763932 -1.889264 0.638163
C 3.505568 -3.513613 -0.286610
C 2.316587 -4.163566 0.154324
C -6.361400 2.658675 -1.609592
C -7.813662 0.266047 2.026413
C 5.819949 0.699314 0.348207
C 4.191643 2.487293 0.916546
C 6.563378 1.025644 1.506494
C 4.948708 2.793037 2.071188
C 6.123810 2.060671 2.365452
H 0.961980 1.751430 -1.215394
H -3.706946 1.902243 -0.485793
H 4.387040 -1.681285 -1.038831
H 0.180704 -3.952481 0.534428
H -5.353885 2.882261 0.331632
H -7.116112 2.779926 0.435019
H -8.251221 0.842909 -0.032117
H -7.496046 -0.747634 0.101975
H -5.864590 -1.676183 0.932710
H -3.736224 -2.939267 0.942480
H 4.439378 -4.079965 -0.354967
H 2.348592 -5.221031 0.434948
H -6.435793 3.747166 -1.777440
H -7.267385 2.189061 -2.031011
H -5.488910 2.282934 -2.171156
H -8.807572 -0.187383 2.185213
H -7.073685 -0.313710 2.604851
H -7.840933 1.290735 2.436737
H 6.160825 -0.064099 -0.358761
H 3.304989 3.067655 0.641497
H 7.487174 0.481819 1.727053
H 4.629728 3.609021 2.727210
H 6.708195 2.309332 3.257327


