%chk=000111017.chk %nprocshared=12 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000111017 0 1 Cl 5.186800 2.183600 9.8499998E-02 O -1.769900 1.586000 8.3999999E-02 O -0.7830000 -1.342700 2.260200 O -0.7142000 -1.101000 -2.357200 N -0.4452000 -1.402800 -5.4400001E-02 C -2.462100 -0.5234000 0.7291000 C -2.440900 -0.4425000 -0.7990000 C -2.548100 0.9509000 1.128600 C -2.517200 1.065700 -1.043300 C -3.939500 1.501600 0.8163000 C -3.917600 1.582800 -0.7143000 C -1.140500 -1.143500 1.107300 C -1.108600 -1.021500 -1.201800 C 0.8796000 -1.992600 -8.2000002E-02 C 1.960700 -0.9456000 -3.6899999E-02 C 2.449500 -0.4163000 -1.223100 C 2.452600 -0.5241000 1.190400 C 3.450700 0.5539000 -1.181300 C 3.453700 0.4463000 1.232300 C 3.953000 0.9852000 4.6500001E-02 H -3.280300 -1.133800 1.122800 H -3.246700 -1.006800 -1.277700 H -2.167300 1.194200 2.123200 H -2.108600 1.411600 -1.995600 H -4.058200 2.508300 1.232500 H -4.746400 0.8712000 1.200800 H -4.712500 0.9979000 -1.186200 H -4.025600 2.628000 -1.025000 H 0.9842000 -2.598600 -0.9903000 H 0.9846000 -2.673700 0.7713000 H 2.069500 -0.7462000 -2.185600 H 2.073100 -0.9374000 2.120400 H 3.830400 0.9647000 -2.113400 H 3.835500 0.7730000 2.196200 %chk=000111017-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000111017 0 1 Cl 5.331502 2.248272 0.083675 O -1.749284 1.616241 0.108006 O -0.762577 -1.442622 2.277428 O -0.690239 -1.169339 -2.399451 N -0.462082 -1.441182 -0.064914 C -2.515707 -0.536944 0.740236 C -2.488459 -0.438765 -0.821175 C -2.591191 0.968074 1.159559 C -2.546917 1.108075 -1.049519 C -4.012173 1.513195 0.844452 C -3.979583 1.614848 -0.725828 C -1.181044 -1.180466 1.123382 C -1.144147 -1.040766 -1.236150 C 0.898031 -2.028630 -0.078231 C 1.995342 -0.970901 -0.037191 C 2.523433 -0.440279 -1.240569 C 2.495477 -0.502972 1.203538 C 3.538243 0.541715 -1.213289 C 3.509610 0.479073 1.249228 C 4.015685 0.983323 0.035694 H -3.347241 -1.126022 1.159525 H -3.306913 -0.964258 -1.339045 H -2.175220 1.198370 2.148724 H -2.091346 1.458860 -1.984380 H -4.148320 2.505261 1.304207 H -4.809354 0.846696 1.216779 H -4.760765 1.006395 -1.213709 H -4.096456 2.658504 -1.059278 H 0.970293 -2.630717 -1.000300 H 0.958283 -2.691565 0.802074 H 2.128448 -0.785542 -2.202614 H 2.081435 -0.898440 2.138005 H 3.947355 0.952537 -2.140623 H 3.897381 0.842373 2.205055