%chk=000273310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000273310

0 1
O -4.568308 -1.316356 -0.469402
O 0.250839 0.656474 -0.056711
O -0.444374 -2.725569 -0.470150
O 2.972563 -1.319528 0.657715
O -4.023472 -0.782399 1.701477
O 4.044038 -3.262736 0.110961
O 6.097539 3.780620 -1.119890
O 7.744689 2.378850 -1.113427
N -2.400395 -0.937954 0.025356
N 0.748514 -2.351068 1.452729
N 6.567571 2.664909 -0.962741
C -1.274218 -0.976027 0.986661
C -0.618689 0.424446 1.049224
C -0.282580 -2.066856 0.540133
C 1.784885 -3.318244 1.056197
C -3.700166 -1.005237 0.551551
C -6.000441 -1.177819 -0.175659
C -6.415306 0.255513 -0.334354
C 3.073773 -2.705763 0.537943
C -6.255673 1.149968 0.734976
C -6.962531 0.703309 -1.544852
C 3.935525 -0.421687 0.205504
C -6.652429 2.481733 0.595214
C -7.359389 2.037128 -1.679156
C 3.411292 0.869199 0.006938
C 5.285368 -0.735972 0.017406
C -7.206774 2.925882 -0.610287
C 5.647889 1.586262 -0.559636
C 4.281216 1.880141 -0.376578
C 6.148917 0.287194 -0.371159
H -1.663876 -1.225692 2.021211
H 0.051689 0.521122 1.924346
H -1.396587 1.213397 1.089754
H -2.222785 -1.362957 -0.897539
H 1.066416 -1.629082 2.101570
H 1.381783 -4.004969 0.254811
H 2.029584 -3.971272 1.933185
H -6.197597 -1.573800 0.839028
H -6.425916 -1.854512 -0.941710
H -0.263228 0.713870 -0.894577
H -5.809628 0.801524 1.671274
H -7.075861 0.017197 -2.382887
H -6.529521 3.174509 1.426350
H -7.786248 2.383835 -2.618916
H 2.336520 1.048086 0.141799
H 5.654079 -1.756482 0.155595
H -7.517773 3.963993 -0.716694
H 3.919828 2.902361 -0.542631
H 7.215947 0.087361 -0.530151


%chk=000273310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000273310

0 1
O -4.582417 -1.390946 -0.258226
O -0.276074 0.416864 0.381746
O -0.336427 -3.025833 -0.543186
O 2.828674 -1.422564 0.447702
O -3.920133 -0.770603 1.925511
O 4.375449 -3.203525 0.394351
O 5.055752 4.276988 -1.269486
O 7.016631 3.111129 -1.285506
N -2.405638 -1.624941 0.356174
N 0.857546 -2.920556 1.449413
N 5.738567 3.191363 -1.113706
C -1.281174 -1.685467 1.292394
C -0.739299 -0.255924 1.593721
C -0.215374 -2.596621 0.643864
C 2.011808 -3.636588 0.918129
C -3.654996 -1.223080 0.776401
C -5.964919 -0.859736 0.021242
C -6.086794 0.597317 -0.367269
C 3.224070 -2.760733 0.567477
C -5.805659 1.618446 0.577729
C -6.481286 0.959842 -1.680430
C 3.655217 -0.335383 0.042175
C -5.913377 2.978328 0.211297
C -6.589254 2.319516 -2.047857
C 2.924531 0.863136 -0.140335
C 5.056945 -0.406339 -0.151229
C -6.305286 3.331910 -1.101439
C 5.011187 1.964088 -0.712904
C 3.611401 2.027675 -0.521831
C 5.736700 0.766840 -0.534753
H -1.609035 -2.123018 2.258372
H 0.138458 -0.293063 2.261068
H -1.546982 0.315979 2.089905
H -2.276648 -2.101371 -0.545401
H 0.930118 -2.498904 2.376364
H 1.686768 -4.132948 -0.016356
H 2.360053 -4.420537 1.612504
H -6.175675 -1.018456 1.092500
H -6.601350 -1.508803 -0.599914
H -1.015807 0.408844 -0.279276
H -5.493532 1.336886 1.589660
H -6.700809 0.175266 -2.415101
H -5.696117 3.760610 0.947087
H -6.896365 2.589504 -3.064337
H 1.838078 0.850033 0.011905
H 5.595013 -1.344501 -0.014069
H -6.391363 4.387163 -1.384118
H 3.087955 2.974481 -0.675084
H 6.817566 0.765135 -0.697072


