%chk=000215163.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215163

0 1
O -0.016850 -0.128233 -0.130051
O 0.797741 -2.151672 -1.753936
N 4.076834 -1.354805 -0.303167
C -0.948766 0.125296 0.954592
C 1.752688 -1.284634 -1.111886
C 3.007604 -2.166858 -0.960907
C 1.201562 -0.816354 0.244907
C -0.475184 1.325332 1.796015
C -2.272805 0.379495 0.218583
C 4.852319 -0.564216 -1.318769
C 4.982869 -2.208135 0.535419
C -0.585694 2.655226 1.103101
C -3.067044 -0.877615 0.007467
C 5.560886 0.605698 -0.635002
C 4.259191 -2.651116 1.807947
C 0.002362 2.846514 -0.157887
C -2.494814 -1.967092 -0.668954
C -1.257176 3.719897 1.722327
C -4.388804 -0.969552 0.467615
C -0.079979 4.088375 -0.788564
C -3.232744 -3.131990 -0.881898
C -1.334768 4.962882 1.086126
C -5.125915 -2.137944 0.250757
C -0.747230 5.150851 -0.167782
C -4.551784 -3.220027 -0.422490
H -1.002580 -0.784072 1.594937
H 1.920368 -0.415965 -1.786628
H 2.751607 -3.057068 -0.344311
H 3.287059 -2.571203 -1.957847
H 1.886726 -0.105905 0.739664
H 0.972366 -1.657270 0.918214
H -1.039627 1.332659 2.750903
H 0.587174 1.167763 2.084877
H -2.043711 0.844707 -0.770608
H -2.864131 1.146673 0.758472
H 5.586035 -1.184410 -1.877528
H 4.138340 -0.164346 -2.073601
H 5.370109 -3.093335 -0.013779
H 5.869564 -1.594930 0.816061
H -0.116927 -1.762958 -1.649500
H 4.855687 1.190637 -0.028711
H 6.356150 0.268252 0.039276
H 6.008567 1.279103 -1.373041
H 3.834103 -1.788266 2.337126
H 3.431502 -3.336864 1.592538
H 4.945945 -3.160318 2.491986
H 0.509996 2.007431 -0.642181
H -1.459932 -1.895334 -1.024293
H -1.717736 3.585670 2.697950
H -4.845699 -0.133087 0.991630
H 0.376125 4.230916 -1.766750
H -2.781102 -3.972487 -1.407206
H -1.855665 5.786337 1.571339
H -6.152153 -2.203242 0.608469
H -0.808472 6.118258 -0.660306
H -5.127687 -4.127168 -0.590018


%chk=000215163-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215163

0 1
O -0.038211 -0.116691 -0.235764
O 0.925381 -1.828652 -2.168529
N 4.163321 -1.432159 -0.318647
C -0.889356 0.196342 0.939400
C 1.861374 -1.137053 -1.268576
C 3.092558 -2.050757 -1.143434
C 1.192094 -0.863095 0.083415
C -0.363362 1.459080 1.682314
C -2.331850 0.353601 0.419593
C 5.023976 -0.508954 -1.111444
C 4.950911 -2.431922 0.453819
C -0.567395 2.782331 0.956580
C -3.108689 -0.944473 0.218108
C 5.698590 0.574586 -0.248838
C 4.187697 -2.991752 1.669311
C 0.064990 3.046108 -0.288484
C -2.506521 -2.115364 -0.315970
C -1.396089 3.788186 1.517286
C -4.487983 -0.992678 0.550556
C -0.128473 4.279395 -0.949038
C -3.261593 -3.294088 -0.508378
C -1.590483 5.024927 0.859710
C -5.247329 -2.168438 0.354755
C -0.955964 5.275082 -0.378112
C -4.635734 -3.326951 -0.176591
H -0.831156 -0.663578 1.643261
H 2.150699 -0.158735 -1.712771
H 2.765079 -2.997177 -0.677120
H 3.439272 -2.305772 -2.172132
H 1.875564 -0.283812 0.733925
H 0.926972 -1.818754 0.586989
H -0.869055 1.497690 2.666924
H 0.713594 1.301591 1.892606
H -2.272392 0.918871 -0.531972
H -2.889904 1.003256 1.120136
H 5.799722 -1.074152 -1.687961
H 4.382468 -0.012431 -1.862984
H 5.291268 -3.275172 -0.199375
H 5.865754 -1.929507 0.816744
H 0.077795 -1.310418 -2.144913
H 4.934356 1.173467 0.276936
H 6.370008 0.138205 0.512579
H 6.304858 1.249791 -0.881111
H 3.902193 -2.171471 2.351254
H 3.266523 -3.523423 1.369374
H 4.820264 -3.709258 2.224534
H 0.692581 2.271051 -0.740137
H -1.444992 -2.101877 -0.584290
H -1.888435 3.603883 2.480890
H -4.971390 -0.099598 0.967097
H 0.366266 4.465418 -1.909487
H -2.776604 -4.185324 -0.923257
H -2.232608 5.789313 1.312251
H -6.311085 -2.180900 0.619114
H -1.102325 6.232731 -0.890484
H -5.220647 -4.241018 -0.328968


