%chk=000108957.chk %nprocshared=4 %mem=3GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000108957 0 1 Cl 1.268100 3.936100 3.0000001E-04 Cl -5.721600 4.4900000E-02 3.0000001E-04 O 0.4670000 -2.406600 -5.0000002E-04 O -1.183600 2.672900 -1.3000000E-03 O 3.237400 -2.302400 1.097700 O 3.238100 -2.302400 -1.097500 N 3.014200 -1.741900 0.000000 C 1.117000 -0.1254000 -1.9999999E-04 C 0.6899000 1.204200 -9.9999997E-05 C -1.307000 -0.9043000 -9.9999997E-05 C -1.734200 0.4252000 9.9999997E-05 C 0.1343000 -1.228100 0.000000 C -0.7514000 1.528000 0.000000 C 2.486000 -0.4189000 -9.9999997E-05 C 1.631600 2.240200 1.9999999E-04 C -2.248700 -1.940300 0.000000 C -3.103100 0.7187000 1.9999999E-04 C 3.421100 0.6166000 1.9999999E-04 C 2.994900 1.943200 3.9999999E-04 C -3.611900 -1.643400 9.9999997E-05 C -4.038100 -0.3167000 9.9999997E-05 H -1.944700 -2.983600 0.000000 H -3.451200 1.749100 3.9999999E-04 H 4.488600 0.4074000 3.9999999E-04 H 3.744400 2.731200 6.9999998E-04 H -4.331100 -2.458600 1.9999999E-04 %chk=000108957-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000108957 0 1 Cl 1.325456 4.041606 0.000453 Cl -5.841810 0.036400 0.000592 O 0.526031 -2.452247 -0.000508 O -1.235981 2.763244 -0.000774 O 3.305612 -2.314433 1.144980 O 3.306333 -2.314159 -1.144833 N 3.028284 -1.800854 0.000045 C 1.103918 -0.115468 -0.000207 C 0.676026 1.258590 -0.000178 C -1.325792 -0.922790 -0.000194 C -1.763431 0.428769 -0.000223 C 0.118180 -1.249616 -0.000425 C -0.798106 1.575170 -0.000614 C 2.488082 -0.408016 0.000043 C 1.679210 2.269423 0.000202 C -2.277887 -1.974035 0.000046 C -3.147898 0.724508 0.000001 C 3.464692 0.604966 0.000350 C 3.054566 1.946979 0.000455 C -3.654722 -1.688538 0.000289 C -4.068141 -0.335431 0.000265 H -1.916209 -3.006670 0.000040 H -3.466486 1.770570 -0.000068 H 4.527692 0.347729 0.000536 H 3.794988 2.751180 0.000737 H -4.396605 -2.491777 0.000490