%chk=000151090.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151090

0 1
 S    2.230300      -1.585800       1.491200    
 N   -2.289400       1.102000      0.3970000    
 N   -5.159200      0.7022000      0.4642000    
 N   0.9246000      0.1375000     -0.7425000    
 C   -1.067200       1.834700      0.7222000    
 C   -2.965900      0.6470000       1.618600    
 C   -3.191800       1.926800     -0.4166000    
 C  -0.3056000       2.264500     -0.5354000    
 C   -4.250900     -0.1109000       1.276000    
 C   -4.475600       1.161500     -0.7469000    
 C   9.6199997E-02   1.115700      -1.459600    
 C   0.4060000      -1.174000     -0.5953000    
 C    2.207100      0.5602000     -0.3103000    
 C   0.9316000      -2.058900      0.3669000    
 C    2.911000     -0.1527000      0.6804000    
 C  -0.6281000      -1.666300      -1.421300    
 C    2.852200       1.684400     -0.8708000    
 C   0.4190000      -3.361200      0.5034000    
 C    4.185900      0.2667000       1.100300    
 C   -1.130700      -2.963200      -1.284500    
 C    4.121600       2.094000     -0.4533000    
 C  -0.6088000      -3.810500     -0.3190000    
 C    4.787700       1.386300      0.5355000    
 H   -1.296900       2.729500       1.316100    
 H  -0.4140000       1.211400       1.344700    
 H   -3.202100       1.495600       2.274600    
 H   -2.306300     -2.7000001E-02   2.178600    
 H   -2.746200       2.189300      -1.380400    
 H   -3.442100       2.863100      0.1003000    
 H  -0.8689000       3.009600      -1.108800    
 H   0.5776000       2.816600     -0.1951000    
 H   -4.011700      -1.043500      0.7489000    
 H   -4.761800     -0.3904000       2.203900    
 H   -5.152600       1.817500      -1.305200    
 H   -4.250900      0.3056000      -1.396500    
 H   0.6166000       1.492200      -2.348300    
 H  -0.8367000      0.7272000      -1.865900    
 H   -5.974400      0.1473000      0.2058000    
 H   -1.050700      -1.098600      -2.243100    
 H    2.400200       2.273200      -1.663600    
 H   0.8169000      -4.041400       1.253800    
 H    4.725100     -0.2767000       1.873700    
 H   -1.920900      -3.310800      -1.943800    
 H    4.586700       2.964300     -0.9072000    
 H  -0.9950000      -4.819200     -0.2093000    
 H    5.773400       1.700900      0.8643000    


%chk=000151090-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151090

0 1
S 1.920247 -1.268317 1.904593
N -2.459668 1.392610 0.336318
N -5.255889 0.773793 0.500817
N 0.852072 0.093692 -0.621306
C -1.159847 2.028382 0.664423
C -2.991284 0.539749 1.431792
C -3.486714 2.362594 -0.121802
C -0.316162 2.322594 -0.597730
C -4.246908 -0.210786 0.952267
C -4.747616 1.618854 -0.600576
C -0.012205 1.027141 -1.384980
C 0.486233 -1.284575 -0.519506
C 2.172983 0.504914 -0.266568
C 0.950460 -2.075843 0.568972
C 2.842279 -0.087059 0.841406
C -0.329418 -1.918446 -1.497120
C 2.868190 1.502841 -1.003842
C 0.623285 -3.441615 0.676868
C 4.159647 0.274969 1.182361
C -0.692339 -3.276427 -1.368510
C 4.174261 1.895267 -0.639299
C -0.218533 -4.047797 -0.284203
C 4.831139 1.281729 0.450250
H -1.294708 2.972227 1.248426
H -0.589367 1.330267 1.305167
H -3.260138 1.145242 2.333044
H -2.211049 -0.188599 1.719344
H -3.076185 2.961935 -0.955415
H -3.774383 3.064344 0.701369
H -0.858008 3.012943 -1.274202
H 0.615282 2.836523 -0.296217
H -3.937830 -0.916167 0.141648
H -4.665687 -0.800938 1.787959
H -5.524701 2.353343 -0.882498
H -4.475424 1.027277 -1.510486
H 0.417086 1.259070 -2.382048
H -0.984733 0.531502 -1.534721
H -6.165057 0.344894 0.287759
H -0.672655 -1.354058 -2.368776
H 2.389787 1.971708 -1.868589
H 1.013755 -4.022180 1.519618
H 4.649182 -0.216620 2.029868
H -1.332283 -3.734372 -2.130826
H 4.680984 2.674746 -1.218998
H -0.489963 -5.103936 -0.187988
H 5.847182 1.578284 0.729635


