%chk=000079354.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079354

0 1
 S    7.314100     -0.8712000      0.3413000    
 N    9.447300     -0.2555000      -1.078100    
 N    8.771000       1.353500      0.5130000    
 C   -1.771500      0.3693000     -2.7899999E-02
 C   -3.067500     -0.4110000      0.2049000    
 C  -0.5111000     -0.4793000      0.1681000    
 C   -4.328700      0.4213000     -4.9600001E-02
 C   0.7859000      0.3060000     -4.1200001E-02
 C   -5.657700     -0.3307000      8.1600003E-02
 C    2.013600     -0.5778000      0.1964000    
 C   -6.920800      0.5160000     -0.1070000    
 C    3.309900      0.1993000     -4.4500001E-02
 C   -8.213600     -0.2984000     -1.5100000E-02
 C    4.573500     -0.6174000      0.2486000    
 C   -9.473900      0.5511000     -0.1974000    
 C    5.860900      0.1574000     -2.1800000E-02
 C   -10.76330     -0.2476000     -8.3600000E-02
 C    8.631900      0.2151000     -8.7800004E-02
 H   -1.740800       1.226400      0.6559000    
 H   -1.772200      0.7763000      -1.046600    
 H   -3.086500     -0.7890000       1.234300    
 H   -3.081800      -1.287200     -0.4548000    
 H  -0.5376000      -1.327500     -0.5272000    
 H  -0.5190000     -0.8998000       1.181400    
 H   -4.273500      0.8504000      -1.058000    
 H   -4.334600       1.269300      0.6470000    
 H   0.8093000      0.7058000      -1.062100    
 H   0.8106000       1.162500      0.6431000    
 H   -5.666800      -1.148800     -0.6496000    
 H   -5.696600     -0.8014000       1.072100    
 H    1.998900     -0.9570000       1.225200    
 H    1.980500      -1.447800     -0.4703000    
 H   -6.935800       1.309400      0.6501000    
 H   -6.876200       1.011400      -1.084500    
 H    3.336300      0.5415000      -1.086500    
 H    3.315700       1.098500      0.5842000    
 H   -8.198500      -1.088300     -0.7760000    
 H   -8.254800     -0.7986000      0.9604000    
 H    4.552500      -1.526100     -0.3668000    
 H    4.546900     -0.9394000       1.297600    
 H   -9.485800       1.349400      0.5543000    
 H   -9.444200       1.039000      -1.179000    
 H    5.901900      0.4678000      -1.071100    
 H    5.888900       1.057800      0.6001000    
 H   -10.80360      -1.033400     -0.8445000    
 H   -11.62970      0.4065000     -0.2221000    
 H   -10.84490     -0.7183000      0.9012000    
 H    9.283400      -1.157600      -1.511500    
 H    10.23930      0.2845000      -1.409500    
 H    8.033100       1.453100       1.217900    


%chk=000079354-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079354

0 1
S 7.387931 -0.942237 0.341414
N 9.938755 -0.526055 -0.429217
N 8.724239 1.477534 -0.493304
C -1.820591 0.403387 -0.007488
C -3.130792 -0.414876 0.038934
C -0.550597 -0.471572 0.091824
C -4.403841 0.459255 -0.019587
C 0.762310 0.337996 -0.003881
C -5.711971 -0.363370 0.003575
C 2.027783 -0.533364 0.161265
C -6.986953 0.509238 -0.035669
C 3.343293 0.261781 -0.000537
C -8.294140 -0.315138 -0.021471
C 4.599318 -0.614416 0.222779
C -9.569932 0.557387 -0.054722
C 5.899280 0.180390 0.011581
C -10.870309 -0.275309 -0.042154
C 8.771193 0.197435 -0.260403
H -1.820706 1.142955 0.820523
H -1.789445 0.991392 -0.948777
H -3.148933 -1.025131 0.966361
H -3.141975 -1.135042 -0.805999
H -0.568151 -1.235334 -0.713747
H -0.567468 -1.031546 1.050404
H -4.379442 1.082468 -0.938185
H -4.401175 1.167319 0.835583
H 0.799410 0.859774 -0.983133
H 0.761034 1.132385 0.771691
H -5.719972 -1.062256 -0.859110
H -5.730096 -0.996734 0.915372
H 2.010842 -1.015612 1.160889
H 2.005249 -1.357405 -0.582149
H -6.982374 1.203279 0.830998
H -6.966611 1.147579 -0.943980
H 3.377550 0.708640 -1.015884
H 3.350708 1.109302 0.716248
H -8.301984 -1.006257 -0.890468
H -8.314125 -0.956686 0.884592
H 4.578021 -1.476804 -0.472068
H 4.578313 -1.029784 1.249833
H -9.561827 1.246705 0.814352
H -9.548314 1.198840 -0.959536
H 5.979747 0.547044 -1.026728
H 5.951854 1.035159 0.709895
H -10.915062 -0.952128 -0.916426
H -11.767309 0.370645 -0.068405
H -10.930664 -0.901196 0.868376
H 9.942111 -1.542151 -0.423776
H 10.780174 -0.012482 -0.684685
H 7.840043 1.954494 -0.260403


