%chk=000067004.chk %nprocshared=4 %mem=7GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000067004 0 1 S -3.005800 -0.3391000 -9.8300003E-02 O 0.9181000 2.893900 7.7000000E-03 O -3.688500 0.8136000 -0.6689000 O -3.204600 -1.659000 -0.6803000 N -3.357900 -0.4174000 1.571800 C 1.005500 -0.7990000 -2.3600001E-02 C 1.462300 0.5403000 -2.7000001E-03 C -1.292900 -1.7000000E-03 -6.1400000E-02 C -0.3755000 -1.053000 -5.2999999E-02 C 0.5249000 1.586100 -1.2000000E-02 C -0.8435000 1.315400 -4.1200001E-02 C 1.943000 -1.844500 -1.4700000E-02 C 2.843200 0.7945000 2.6500000E-02 C 3.311300 -1.573600 1.4700000E-02 C 3.760600 -0.2565000 3.5300002E-02 H -0.7268000 -2.082900 -6.2199999E-02 H -1.546600 2.144400 -4.1000001E-02 H 1.614900 -2.881800 -3.0600000E-02 H 3.251600 1.801000 2.7000001E-02 H 4.026000 -2.391500 2.0400001E-02 H 4.826200 -4.6900000E-02 5.4299999E-02 H -3.905400 0.3500000 1.980200 H -3.572500 -1.339300 1.971100 H 1.776600 2.982600 0.4497000 %chk=000067004-Freq.chk %nprocshared=4 %mem=3GB #p freq=noraman PBEPBE/SDD 000067004 0 1 S -3.063099 -0.371609 -0.052854 O 0.906043 2.972290 0.115572 O -3.813347 0.909859 -0.720240 O -3.250215 -1.900741 -0.583811 N -3.538087 -0.360681 1.725483 C 1.060217 -0.814396 -0.026544 C 1.528897 0.556658 0.044810 C -1.214501 -0.011393 -0.004181 C -0.345670 -1.090033 -0.047704 C 0.549375 1.620935 0.068507 C -0.820569 1.344697 0.046273 C 2.022546 -1.876552 -0.072440 C 2.940867 0.799609 0.077676 C 3.391607 -1.607033 -0.044481 C 3.854312 -0.256617 0.033613 H -0.722687 -2.114974 -0.121074 H -1.551933 2.156878 0.036571 H 1.660783 -2.909286 -0.130556 H 3.337744 1.821851 0.144215 H 4.116212 -2.427001 -0.080581 H 4.929628 -0.052221 0.060672 H -4.270774 0.357208 1.852459 H -3.848025 -1.312160 1.983846 H 1.884876 3.100312 0.063571