%chk=000115267.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000115267 0 1 N -4.812300 1.3400000E-02 4.1000000E-03 N 4.812300 -1.3400000E-02 4.1000000E-03 C -0.6716000 -1.7000000E-03 -2.0000001E-03 C 0.6716000 1.7000000E-03 -2.0000001E-03 C -1.400700 -1.259600 -2.0000001E-03 C -1.407300 1.252400 -1.1000000E-03 C 1.400700 1.259700 -2.0000001E-03 C 1.407300 -1.252400 -1.1000000E-03 C -2.740000 -1.282200 -5.0000002E-04 C -2.746600 1.267400 3.9999999E-04 C 2.740000 1.282200 -5.0000002E-04 C 2.746600 -1.267300 3.0000001E-04 C -3.517300 -8.2999999E-03 1.1000000E-03 C 3.517300 8.2999999E-03 1.1000000E-03 H -0.9343000 -2.233500 -3.5000001E-03 H -0.9459000 2.228600 -1.2000001E-03 H 0.9343000 2.233500 -3.5999999E-03 H 0.9460000 -2.228700 -1.3000000E-03 H -3.292600 -2.215000 -6.0000003E-04 H -3.295500 2.202600 1.3000000E-03 H 3.292700 2.215000 -6.0000003E-04 H 3.295500 -2.202600 1.1000000E-03 H -5.165100 0.9762000 5.2000000E-03 H 5.165200 -0.9760000 5.2000000E-03 %chk=000115267-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000115267 0 1 N -4.981259 -0.053251 0.000489 N 4.981285 0.053277 0.000450 C -0.714156 0.005042 -0.000197 C 0.714181 -0.005014 -0.000207 C -1.501088 -1.223626 -0.000453 C -1.477509 1.248654 0.000234 C 1.501115 1.223652 -0.000450 C 1.477532 -1.248627 0.000189 C -2.878701 -1.218153 -0.000311 C -2.854983 1.268089 0.000408 C 2.878727 1.218178 -0.000314 C 2.855007 -1.268067 0.000355 C -3.648373 0.028838 -0.000005 C 3.648400 -0.028815 -0.000022 H -0.989242 -2.190197 -0.000905 H -0.945014 2.203939 0.000546 H 0.989268 2.190225 -0.000889 H 0.945036 -2.203910 0.000477 H -3.455731 -2.148711 -0.000557 H -3.395878 2.224118 0.000822 H 3.455759 2.148733 -0.000552 H 3.395896 -2.224097 0.000735 H -5.425985 0.892571 0.001065 H 5.426013 -0.892547 0.000992