%chk=000035526.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000035526 0 1 S -9.9999997E-05 2.295300 9.9999997E-05 N 1.092600 -0.2190000 0.3061000 N -1.092500 -0.2190000 -0.3062000 C 0.7516000 -1.612000 0.1014000 C -0.7516000 -1.612000 -0.1013000 C 0.000000 0.6238000 0.000000 C 2.457200 0.1500000 0.6479000 C -2.457200 0.1501000 -0.6479000 C 3.308400 0.2215000 -0.6054000 C -3.308300 0.2213000 0.6053000 H 1.051100 -2.212400 0.9656000 H 1.271200 -1.973300 -0.7918000 H -1.051100 -2.212500 -0.9653000 H -1.271100 -1.973100 0.7920000 H 2.458200 1.123200 1.147200 H 2.856000 -0.5885000 1.351100 H -2.458400 1.123400 -1.147100 H -2.856000 -0.5884000 -1.351300 H 3.360500 -0.7497000 -1.108000 H 2.906700 0.9456000 -1.321600 H 4.329200 0.5243000 -0.3521000 H -3.360400 -0.7499000 1.107800 H -2.906600 0.9453000 1.321700 H -4.329200 0.5242000 0.3522000 %chk=000035526-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000035526 0 1 S -0.000383 2.253814 -0.000079 N 1.062458 -0.285152 0.363434 N -1.062678 -0.285306 -0.364265 C 0.773043 -1.708907 0.078557 C -0.772996 -1.709005 -0.079309 C 0.000058 0.534178 -0.001052 C 2.417895 0.205339 0.635699 C -2.418351 0.205061 -0.635565 C 3.321743 0.252577 -0.617578 C -3.321237 0.252741 0.618400 H 1.112296 -2.357529 0.905582 H 1.276064 -2.037792 -0.854291 H -1.112333 -2.357761 -0.906193 H -1.275798 -2.037868 0.853664 H 2.304386 1.224557 1.047325 H 2.868234 -0.436985 1.417469 H -2.305167 1.224122 -1.047675 H -2.869276 -0.437572 -1.416739 H 3.461392 -0.748227 -1.066448 H 2.881015 0.923591 -1.374991 H 4.319603 0.644074 -0.348143 H -3.460488 -0.747897 1.067762 H -2.879948 0.924055 1.375219 H -4.319332 0.644091 0.349617