%chk=000109015.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000109015 0 1 S 1.611700 2.124600 0.3962000 S -1.331900 2.041200 -0.3267000 N 0.4189000 2.5599999E-02 -0.5111000 N -2.346000 3.2499999E-02 1.123700 C 2.558400 0.6974000 0.1963000 C 1.744600 -0.3250000 -0.3010000 C 3.922800 0.4970000 0.4605000 C 2.319200 -1.591900 -0.5416000 C 0.2387000 1.282800 -0.1798000 C 4.466500 -0.7662000 0.2137000 C 3.676900 -1.798500 -0.2808000 C -2.447200 0.6614000 -6.4300001E-02 C -3.336000 0.3169000 -1.063600 C -4.187500 -0.7564000 -0.8258000 C -4.119300 -1.435700 0.3855000 C -3.189700 -1.005800 1.318700 H 4.545300 1.298300 0.8466000 H 1.711400 -2.405300 -0.9276000 H 5.520500 -0.9425000 0.4115000 H 4.117200 -2.774300 -0.4665000 H -3.385500 0.8500000 -2.007200 H -4.902800 -1.063100 -1.583100 H -4.773000 -2.275100 0.5926000 H -3.096300 -1.502200 2.278900 %chk=000109015-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000109015 0 1 S 1.656937 2.190793 0.428693 S -1.343861 2.012321 -0.444850 N 0.527910 -0.057751 -0.557222 N -2.371316 -0.086275 1.034392 C 2.674897 0.704445 0.211157 C 1.877757 -0.374252 -0.300372 C 4.046519 0.541896 0.484340 C 2.474395 -1.636209 -0.531693 C 0.248420 1.183381 -0.249058 C 4.624414 -0.726493 0.248605 C 3.845246 -1.803438 -0.254094 C -2.507812 0.595717 -0.122040 C -3.520550 0.349817 -1.076554 C -4.457264 -0.669890 -0.789744 C -4.327775 -1.405175 0.411304 C -3.264897 -1.085036 1.287643 H 4.653628 1.365580 0.871700 H 1.860747 -2.452913 -0.922816 H 5.688659 -0.877583 0.458715 H 4.318152 -2.775618 -0.428910 H -3.561104 0.922531 -2.006767 H -5.261020 -0.892598 -1.498970 H -5.027068 -2.207487 0.665214 H -3.118114 -1.630063 2.226426