%chk=000002940.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000002940 -1 1 S -2.916800 2.065800 -2.3800001E-02 S -3.999900 -0.7011000 -0.6791000 O -1.926100 -0.1804000 0.7615000 C 1.875100 -0.1768000 0.9723000 C 2.148300 -0.6979000 -0.4552000 C 0.4182000 -0.6267000 1.227700 C 0.8142000 -1.384700 -0.8325000 C 0.4189000 -1.991900 0.5192000 C -0.5977000 0.1502000 0.3696000 C -0.3370000 -0.3849000 -1.047800 C 2.193700 1.313800 0.9610000 C 2.620300 0.4969000 -1.275200 C 2.189900 1.738000 -0.5029000 C -2.901200 0.3797000 5.2000000E-03 H 2.529700 -0.6863000 1.691500 H 2.938300 -1.460200 -0.4322000 H 0.1512000 -0.6804000 2.286000 H 0.9187000 -2.103400 -1.648500 H -0.5610000 -2.480700 0.5062000 H 1.164400 -2.688000 0.9189000 H -0.4165000 1.220800 0.4730000 H -7.2999999E-02 0.4089000 -1.750700 H -1.181600 -0.9271000 -1.479300 H 3.203400 1.463200 1.364200 H 1.512700 1.909100 1.576100 H 2.248000 0.4905000 -2.303800 H 3.716200 0.4809000 -1.328700 H 2.868000 2.579000 -0.6807000 H 1.194300 2.064900 -0.8148000 %chk=000002940-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000002940 -1 1 S -2.730490 1.925485 -0.760859 S -4.581578 -0.147071 0.689071 O -1.947482 -0.318320 0.631087 C 1.855040 -0.204621 1.002191 C 2.247044 -0.706769 -0.450097 C 0.384827 -0.718244 1.169518 C 0.946579 -1.443367 -0.920526 C 0.465344 -2.083495 0.419504 C -0.577129 0.079019 0.250258 C -0.202597 -0.425836 -1.185809 C 2.122044 1.327968 1.024765 C 2.711410 0.552663 -1.238166 C 2.154521 1.782425 -0.462528 C -3.059453 0.491286 0.179744 H 2.471078 -0.707125 1.774266 H 3.067335 -1.451285 -0.405710 H 0.030965 -0.746978 2.212519 H 1.120035 -2.142961 -1.758406 H -0.521793 -2.570577 0.340008 H 1.198247 -2.787051 0.860974 H -0.502776 1.175561 0.346694 H 0.067185 0.396474 -1.868231 H -1.082632 -0.933772 -1.618380 H 3.108374 1.522870 1.492864 H 1.365431 1.878968 1.613204 H 2.373854 0.536941 -2.292034 H 3.819587 0.594390 -1.250621 H 2.775169 2.687120 -0.610681 H 1.134560 2.027502 -0.807417