%chk=000056441.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000056441 0 1 O -0.1530000 0.7780000 -0.1133000 O -5.368900 -0.3673000 8.5600004E-02 O 1.437200 -3.933500 -9.6400000E-02 O 3.581100 -2.386900 -1.121900 N 0.5079000 -1.750500 -8.9199997E-02 N 3.161400 -1.332600 0.9338000 C -1.809600 -0.9140000 -2.6799999E-02 C -3.174800 -1.203300 2.4400000E-02 C -2.338400 1.576400 -5.2800000E-02 C -3.703500 1.287100 -1.3000000E-03 C -1.341500 0.4864000 -6.7599997E-02 C -0.8749000 -1.956200 -3.9500002E-02 C -4.171700 -0.1134000 3.9700001E-02 C -3.605300 -2.535100 6.2500000E-02 C -1.308300 -3.281900 -1.0000000E-03 C -1.907800 2.908100 -9.0700001E-02 C -4.638200 2.329400 1.2000000E-02 C -2.670500 -3.570700 4.9899999E-02 C -2.842600 3.943700 -7.6700002E-02 C -4.204800 3.655000 -2.5699999E-02 C 1.504900 -2.715700 -0.1047000 C 4.429500 -0.6659000 1.115300 C 4.432500 0.7095000 0.5135000 C 2.878100 -2.116800 -0.1612000 C 4.825400 0.8807000 -0.8088000 C 4.042700 1.798400 1.284400 C 4.828600 2.158600 -1.368000 C 4.045700 3.076300 0.7253000 C 4.438800 3.256400 -0.6009000 H -4.661700 -2.786600 0.1028000 H -0.6686000 -4.151000 -5.1000002E-03 H -0.8520000 3.162000 -0.1310000 H -5.705800 2.130600 5.1700000E-02 H -3.007200 -4.603100 8.0200002E-02 H 0.8179000 -0.7835000 -0.1149000 H -2.507800 4.976700 -0.1059000 H -4.930500 4.463100 -1.5200000E-02 H 5.226400 -1.276900 0.6745000 H 4.625400 -0.6168000 2.192500 H 2.451200 -1.204000 1.649000 H 5.133300 3.4299999E-02 -1.416200 H 3.732600 1.669300 2.317700 H 5.134900 2.299000 -2.400500 H 3.741400 3.931000 1.322300 H 4.440900 4.251400 -1.036200 %chk=000056441-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000056441 0 1 O 0.015385 0.454578 -0.602368 O -5.399264 -0.301504 0.150293 O 1.359117 -4.215321 0.309298 O 3.655621 -2.899927 -1.143248 N 0.483581 -2.040363 -0.041858 N 3.215615 -1.268449 0.474234 C -1.773699 -1.086403 -0.046728 C -3.183825 -1.265859 0.143374 C -2.200076 1.371964 -0.615000 C -3.600301 1.195515 -0.422477 C -1.247346 0.243981 -0.427699 C -0.900847 -2.222181 0.139247 C -4.151308 -0.133995 -0.029936 C -3.706694 -2.524993 0.501941 C -1.451299 -3.487486 0.497774 C -1.699392 2.643484 -0.992277 C -4.480688 2.288978 -0.606357 C -2.839009 -3.625795 0.674751 C -2.581356 3.726823 -1.174963 C -3.975298 3.550046 -0.980963 C 1.506857 -2.992277 0.044137 C 4.498619 -0.558619 0.306974 C 4.365792 0.944188 0.522021 C 2.897057 -2.388558 -0.272837 C 3.243604 1.665222 0.037968 C 5.397919 1.648100 1.191550 C 3.162779 3.063888 0.220892 C 5.320699 3.048072 1.366542 C 4.200368 3.761473 0.881901 H -4.788301 -2.616399 0.636937 H -0.775342 -4.335169 0.623962 H -0.620806 2.754237 -1.138116 H -5.551084 2.122183 -0.450727 H -3.246128 -4.604444 0.948838 H 0.721483 -1.062317 -0.331623 H -2.190597 4.706750 -1.468339 H -4.658523 4.393753 -1.123724 H 4.847081 -0.794580 -0.716564 H 5.256896 -0.973795 1.000336 H 2.593638 -0.962468 1.226970 H 2.431128 1.140586 -0.476784 H 6.265861 1.099017 1.577929 H 2.289339 3.609070 -0.155048 H 6.127614 3.578284 1.884606 H 4.135531 4.846413 1.020762