%chk=000208528.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208528

0 1
O -0.419412 1.175800 -0.278228
O -6.486241 -1.335522 -1.138613
O -3.297495 2.024423 3.143627
N -3.445230 0.570518 -0.209634
N -0.545447 -0.765855 -1.449692
C -2.576268 0.811495 -1.404379
C -4.876379 0.394367 -0.598204
C -3.258237 1.618151 0.838761
C -1.202773 0.325063 -1.092715
C 0.812384 0.509236 -0.138462
C 0.738399 -0.680675 -0.847839
C -5.103049 -1.111003 -0.839863
C -3.454368 0.938834 2.204003
C 1.803934 1.207999 0.659966
C 1.723665 -1.748135 -1.011555
C 3.170365 1.079074 0.355289
C 1.397154 2.021157 1.732816
C 2.559885 -2.106841 0.059837
C 1.829350 -2.426624 -2.237841
C 4.118807 1.751943 1.128227
C 2.353801 2.690768 2.498270
C 3.502528 -3.124128 -0.103716
C 2.775715 -3.442235 -2.392071
C 3.713711 2.556075 2.199082
C 3.614722 -3.790482 -1.328548
H -2.963900 0.227458 -2.277357
H -2.533103 1.880045 -1.722827
H -5.179558 0.985666 -1.485875
H -5.549726 0.727519 0.224241
H -3.943416 2.487205 0.745577
H -2.224576 2.037717 0.796151
H -4.942040 -1.703285 0.081751
H -4.468008 -1.515293 -1.645377
H -2.688010 0.167564 2.394509
H -4.462147 0.505876 2.324565
H 3.486714 0.457604 -0.483873
H 0.334714 2.125755 1.959426
H 2.466540 -1.598120 1.019062
H 1.163118 -2.162194 -3.060303
H -6.709308 -1.000421 -2.027251
H -3.299190 1.680048 4.055308
H 5.177713 1.651224 0.893339
H 2.038236 3.319904 3.329721
H 4.148745 -3.401409 0.727505
H 2.856636 -3.966188 -3.343158
H 4.457273 3.078954 2.798634
H 4.350671 -4.582535 -1.452189


%chk=000208528-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208528

0 1
O -0.472909 1.605153 -0.370014
O -5.004456 -2.376965 -0.691394
O -2.402909 1.862984 2.859104
N -3.673737 1.222228 -0.611470
N -0.735978 -0.262607 -1.643403
C -2.626110 1.494423 -1.607047
C -4.565235 0.072177 -0.807152
C -3.530446 1.814954 0.724211
C -1.276305 0.895243 -1.292494
C 0.661586 0.774212 -0.136408
C 0.489031 -0.375910 -0.919164
C -3.966746 -1.339795 -0.541610
C -2.839900 0.934414 1.798644
C 1.654730 1.332301 0.787099
C 1.291867 -1.606842 -1.050307
C 3.046694 1.095363 0.613565
C 1.221145 2.163950 1.860314
C 2.163126 -2.064047 -0.023411
C 1.154810 -2.391400 -2.228895
C 3.981896 1.664962 1.502197
C 2.163874 2.733108 2.741367
C 2.893088 -3.260431 -0.184022
C 1.888970 -3.584842 -2.387851
C 3.546353 2.484204 2.570812
C 2.765932 -4.024156 -1.368342
H -2.953129 1.095282 -2.583165
H -2.495754 2.589568 -1.711963
H -4.948259 0.092601 -1.851097
H -5.444192 0.196514 -0.144509
H -4.525389 2.119050 1.105112
H -2.920649 2.733013 0.632751
H -3.634478 -1.435678 0.504858
H -3.099266 -1.533926 -1.203858
H -1.968479 0.406751 1.361937
H -3.546008 0.179869 2.205104
H 3.394056 0.485181 -0.226571
H 0.150350 2.356013 1.996698
H 2.254517 -1.497642 0.908888
H 0.461335 -2.052000 -3.004478
H -5.249544 -2.451091 -1.648085
H -2.147833 1.349743 3.666150
H 5.051404 1.479762 1.353090
H 1.818931 3.371442 3.562369
H 3.554641 -3.602124 0.620025
H 1.774947 -4.174401 -3.304432
H 4.275842 2.928046 3.257260
H 3.335484 -4.952156 -1.490320


