%chk=000113001.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000113001 1 1 N -2.064000 -0.6784000 4.2199999E-02 N 3.429500 0.1092000 1.7000000E-03 C -0.7300000 -0.4957000 3.3000000E-02 C -0.2196000 0.8183000 -5.6400001E-02 C -2.939500 0.3328000 -2.9800000E-02 C 2.032900 -9.1300003E-02 1.2000000E-02 C 1.171700 1.005300 -6.6000000E-02 C 0.1384000 -1.589000 0.1108000 C -1.125500 1.884900 -0.1323000 C 1.517500 -1.384100 0.1001000 C -2.494500 1.641300 -0.1189000 C -2.621300 -2.037600 0.1365000 C -4.405400 5.1500000E-02 -1.2900000E-02 C 4.310900 -0.8986000 -0.5529000 C 3.998900 1.331400 0.5328000 H 1.561900 2.017400 -0.1479000 H -0.2048000 -2.615600 0.1838000 H -0.7706000 2.910500 -0.2021000 H 2.164300 -2.253900 0.1743000 H -3.188000 2.474300 -0.1779000 H -2.262200 -2.607600 -0.7268000 H -2.271500 -2.478500 1.075800 H -3.704500 -2.113100 0.1354000 H -4.707000 -0.4271000 0.9244000 H -4.982200 0.9819000 -7.7500001E-02 H -4.703900 -0.5504000 -0.8772000 H 5.293000 -0.4759000 -0.7928000 H 3.910800 -1.312900 -1.485200 H 4.469600 -1.712000 0.1629000 H 3.918700 2.145700 -0.1951000 H 5.061800 1.202300 0.7662000 H 3.507400 1.632100 1.465000 %chk=000113001-Freq.chk %nprocshared=4 %mem=7GB #p freq=noraman PBEPBE/SDD 000113001 1 1 N -2.142914 -0.717191 -0.003335 N 3.479528 0.118332 -0.009665 C -0.746408 -0.526675 -0.004414 C -0.204635 0.814752 0.047899 C -3.027448 0.338849 0.044531 C 2.111098 -0.063918 -0.006056 C 1.196885 1.025071 0.046878 C 0.166968 -1.619820 -0.055915 C -1.134064 1.904530 0.099152 C 1.541251 -1.394979 -0.056625 C -2.504962 1.662632 0.096611 C -2.642129 -2.122455 -0.056466 C -4.518372 0.106839 0.042146 C 4.400239 -1.035459 -0.070962 C 4.034338 1.483575 0.054219 H 1.556743 2.055944 0.086960 H -0.183395 -2.652943 -0.095752 H -0.757204 2.931742 0.139976 H 2.203119 -2.263606 -0.095807 H -3.217086 2.489534 0.134850 H -2.293579 -2.607487 -0.982563 H -2.271968 -2.682769 0.817182 H -3.736491 -2.139874 -0.043525 H -4.855884 -0.480322 0.916267 H -5.037111 1.076255 0.080316 H -4.863155 -0.414025 -0.870215 H 5.436493 -0.668505 -0.084347 H 4.244839 -1.632886 -0.989174 H 4.288248 -1.696404 0.809653 H 3.715476 2.090433 -0.815435 H 5.132493 1.434563 0.048180 H 3.721885 2.003470 0.980634