%chk=000141514.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000141514 0 1 P 0.3508000 -1.511900 -0.2434000 P 1.127500 1.061600 -0.2263000 P -1.489700 0.4476000 -0.2148000 F 0.3641000 -1.593500 -1.811800 F 1.188800 1.141300 -1.793600 F -1.594200 0.4901000 -1.781300 N 0.7058000 -3.015800 0.3043000 N 2.253600 2.110800 0.3382000 N -2.960000 0.8874000 0.3620000 N 1.472200 -0.4492000 0.1778000 N -1.123200 -1.058500 0.1877000 N -0.3527000 1.494000 0.2055000 C 0.8324000 -3.172400 1.751600 C -8.3300002E-02 -4.115900 -0.2456000 C 2.440800 2.153600 1.786800 C 3.553900 2.096900 -0.3287000 C -3.086600 1.001300 1.813400 C -3.600100 2.032500 -0.2820000 H 1.525300 -2.427500 2.156300 H 1.239200 -4.155700 2.011600 H -0.1330000 -3.045300 2.252900 H -1.123100 -4.071900 9.5299996E-02 H 0.3399000 -5.087300 3.1900000E-02 H -8.2500003E-02 -4.071000 -1.339600 H 3.062900 3.005200 2.082400 H 2.902100 1.232600 2.158600 H 1.476100 2.276500 2.289900 H 3.425400 2.200600 -1.411000 H 4.089900 1.161100 -0.1380000 H 4.178200 2.935800 -2.9000000E-03 H -2.709100 9.5299996E-02 2.298700 H -4.134500 1.108300 2.113900 H -2.518800 1.854400 2.199500 H -3.628800 1.889500 -1.367000 H -3.057300 2.961000 -7.5599998E-02 H -4.638000 2.147500 4.8999999E-02 %chk=000141514-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000141514 0 1 P 0.282112 -1.649907 -0.395343 P 1.278502 1.072908 -0.411497 P -1.577673 0.573219 -0.372779 F 0.371452 -2.290868 -2.032259 F 1.765542 1.496324 -2.049688 F -2.212446 0.794053 -1.999621 N 0.533136 -3.009962 0.594574 N 2.347354 1.958201 0.573053 N -2.858853 1.050885 0.638722 N 1.595623 -0.585947 -0.201375 N -1.308111 -1.093625 -0.159056 N -0.295842 1.676162 -0.181707 C 1.903961 -3.510286 0.814079 C -0.581398 -3.942781 0.849679 C 2.105885 3.397224 0.795952 C 3.717946 1.457203 0.794045 C -3.967301 0.114113 0.906207 C -3.111204 2.487287 0.864510 H 2.626725 -2.697548 0.635010 H 2.142137 -4.362693 0.146469 H 1.997808 -3.839404 1.865226 H -0.524944 -4.284304 1.899521 H -0.540436 -4.825733 0.180461 H -1.540933 -3.420860 0.701584 H 2.714338 4.026659 0.115627 H 2.365417 3.642699 1.841988 H 1.038305 3.621452 0.637623 H 3.737962 0.363796 0.656014 H 4.014530 1.686828 1.833804 H 4.445120 1.925029 0.099989 H -3.620529 -0.921096 0.754013 H -4.837741 0.307040 0.247217 H -4.281332 0.228774 1.959869 H -2.184893 3.057376 0.685605 H -3.415600 2.632479 1.917210 H -3.910618 2.874299 0.200973