%chk=000121614.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000121614 0 1 O -0.1849000 -0.1557000 -1.610800 O 0.9683000 0.4227000 0.3387000 O -0.9936000 -6.016400 0.6613000 O 0.4550000 -4.920000 -0.5709000 O 7.331700 2.705500 1.067100 O 7.689500 0.5683000 1.419200 N -0.6037000 -4.963500 0.1012000 N 6.994100 1.502400 0.9512000 C -1.733600 -1.428700 -0.2632000 C -2.931600 -1.454900 0.4898000 C -3.280200 0.9014000 -4.9000001E-03 C -1.332800 -0.2295000 -0.8746000 C -3.693600 -0.2812000 0.6092000 C -2.102100 0.9272000 -0.7453000 C -0.9717000 -2.602300 -0.3827000 C -4.077300 2.101700 0.1284000 C -3.332400 -2.654100 1.101200 C -1.385000 -3.784900 0.2314000 C -2.563100 -3.810700 0.9719000 C 2.152700 0.2433000 -1.782800 C 3.432400 0.5756000 -1.060500 C -5.079400 2.380100 -0.8009000 C -3.843400 2.980100 1.186200 C 0.9541000 0.1944000 -0.8636000 C 3.815000 1.902300 -0.9267000 C 4.208500 -0.4498000 -0.5400000 C -5.848000 3.537100 -0.6724000 C -4.611900 4.137000 1.314900 C -5.614100 4.415600 0.3856000 C 4.999600 2.210400 -0.2576000 C 5.393000 -0.1417000 0.1292000 C 5.788600 1.188400 0.2703000 H -4.616700 -0.2958000 1.187800 H -1.773400 1.845400 -1.228100 H -5.2900001E-02 -2.583200 -0.9653000 H -4.249800 -2.697000 1.684800 H -2.915900 -4.713600 1.463900 H 2.251400 -0.7305000 -2.277400 H 1.962400 0.9909000 -2.562200 H -5.274900 1.705900 -1.631600 H -3.066000 2.778000 1.919400 H 3.206000 2.705300 -1.332500 H 3.907500 -1.488600 -0.6428000 H -6.628400 3.754100 -1.395900 H -4.429900 4.821100 2.138600 H -6.212400 5.316400 0.4858000 H 5.275800 3.257800 -0.1663000 H 5.982000 -0.9637000 0.5280000 %chk=000121614-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000121614 0 1 O 0.275656 -0.923856 -0.149356 O 0.750280 0.997104 -1.425842 O -2.357655 -6.695217 -0.147114 O -0.292345 -5.754077 -0.383111 O 6.870057 4.247604 -1.079888 O 7.573709 3.164760 0.800372 N -1.570037 -5.671749 -0.204016 N 6.778488 3.299400 -0.208181 C -1.913449 -1.912179 0.030440 C -3.341882 -1.771944 0.233202 C -3.118107 0.688807 0.320022 C -1.130553 -0.707675 -0.019905 C -3.911685 -0.470391 0.367536 C -1.698956 0.552337 0.127325 C -1.340035 -3.208499 -0.109661 C -3.714738 2.046340 0.461500 C -4.148268 -2.960496 0.279328 C -2.173487 -4.327515 -0.054824 C -3.585094 -4.225056 0.139454 C 2.538391 -0.630579 -0.864420 C 3.634118 0.413692 -0.695581 C -3.148512 3.164655 -0.212041 C -4.867178 2.257388 1.268901 C 1.127090 -0.048578 -0.868008 C 3.780189 1.479246 -1.623109 C 4.537604 0.315533 0.393506 C -3.719527 4.448449 -0.087057 C -5.437365 3.540991 1.394935 C -4.866526 4.643505 0.716855 C 4.807413 2.428966 -1.469600 C 5.572841 1.256263 0.563246 C 5.691308 2.302416 -0.375700 H -4.997798 -0.383766 0.478450 H -1.068701 1.442329 0.116737 H -0.265321 -3.333565 -0.254839 H -5.228544 -2.856580 0.428221 H -4.183920 -5.138143 0.172473 H 2.599210 -1.405852 -0.085006 H 2.661434 -1.146389 -1.839164 H -2.278106 3.025679 -0.863246 H -5.299709 1.419981 1.828126 H 3.078340 1.570643 -2.457109 H 4.432107 -0.502825 1.114312 H -3.274074 5.294269 -0.621856 H -6.318506 3.684015 2.029912 H -5.308087 5.641053 0.815755 H 4.936934 3.256209 -2.172120 H 6.277894 1.195897 1.396245