%chk=000075956.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000075956 0 1 P -1.380200 -1.3600000E-02 -0.5082000 O 0.1947000 8.7000001E-03 -0.8899000 O -1.537400 -1.283700 0.4855000 O -1.573200 1.251200 0.4857000 O -2.305800 -2.6600000E-02 -1.691700 C 2.555400 4.1999999E-02 -0.5077000 C 1.175200 2.2399999E-02 0.1336000 C 3.664000 4.1499998E-02 0.5409000 C 5.040600 1.7500000E-02 -0.1037000 C -1.313600 -2.581900 -3.7500001E-02 C -1.386200 2.555300 -3.7200000E-02 C -1.516200 -3.599300 1.064900 C -1.617300 3.566500 1.065400 H 2.644100 0.9236000 -1.154900 H 2.658400 -0.8272000 -1.169500 H 1.036300 0.9082000 0.7611000 H 1.060500 -0.8677000 0.7599000 H 3.577300 0.9318000 1.174600 H 3.559400 -0.8329000 1.193700 H 5.171100 -0.8796000 -0.7173000 H 5.190600 0.8949000 -0.7410000 H 5.819400 1.8999999E-02 0.6654000 H -2.018400 -2.765900 -0.8544000 H -0.2951000 -2.649900 -0.4312000 H -0.3699000 2.652000 -0.4309000 H -2.096000 2.719500 -0.8540000 H -1.354600 -4.615200 0.6935000 H -0.8255000 -3.411700 1.893500 H -2.529800 -3.529100 1.473300 H -1.484400 4.586600 0.6943000 H -2.628400 3.467700 1.473900 H -0.9214000 3.398300 1.894000 %chk=000075956-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000075956 0 1 P -1.077198 -0.021917 -0.633388 O 0.613464 -0.006887 -0.985597 O -1.293525 -1.319359 0.487050 O -1.314678 1.275648 0.482604 O -1.963475 -0.031598 -1.948307 C 2.984044 0.039625 -0.513609 C 1.601345 -0.001147 0.137405 C 4.119018 0.038963 0.538643 C 5.518827 0.082049 -0.111373 C -1.802647 -2.620161 -0.054434 C -1.837039 2.568554 -0.065232 C -1.988618 -3.528122 1.156168 C -2.023390 3.483706 1.139898 H 3.056898 0.943922 -1.147407 H 3.090901 -0.833966 -1.184617 H 1.419770 0.886227 0.773848 H 1.460379 -0.915112 0.745776 H 3.999166 0.909642 1.215111 H 4.034910 -0.865645 1.174730 H 5.677517 -0.792558 -0.769561 H 5.642153 0.992245 -0.727536 H 6.317031 0.079878 0.653113 H -2.752072 -2.437916 -0.590524 H -1.063870 -3.031896 -0.768790 H -1.105953 2.981222 -0.786941 H -2.788144 2.374934 -0.594267 H -2.369087 -4.514026 0.830214 H -1.031743 -3.678895 1.684192 H -2.712311 -3.088269 1.862791 H -2.414863 4.463697 0.809170 H -2.738626 3.042611 1.854323 H -1.064582 3.646950 1.660644