%chk=000258876.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258876

0 1
O 4.620784 -0.364373 0.200169
O -4.587071 -0.501624 -0.230667
O 5.431084 2.041940 -0.483360
O -5.472441 1.875633 0.465881
N 1.772144 2.225840 -0.576543
N -1.820907 2.170821 0.558651
C 4.129130 1.635518 -0.916537
C -4.158437 1.506872 0.896411
C 3.092678 2.143367 0.112198
C -3.138479 2.050995 -0.130276
C 0.634051 2.229878 0.392265
C -0.683484 2.211436 -0.410090
C 4.089989 0.103550 -1.064502
C -4.072515 -0.023844 1.037006
C 5.507447 -2.012476 1.624475
C -5.413220 -2.171099 -1.666398
C 5.084024 -1.738837 0.167808
C -4.999124 -1.892483 -0.207999
C 4.283300 -2.282349 2.503223
C 6.493138 -3.183590 1.665708
C -4.180618 -2.390026 -2.547501
C -6.355652 -3.377002 -1.715578
H 4.017512 2.138712 -1.903376
H -4.061608 2.008439 1.885653
H 3.443793 3.109651 0.533027
H 3.042367 1.428708 0.964654
H -3.519203 3.007991 -0.546526
H -3.066683 1.342109 -0.986014
H 0.656580 3.090864 1.093185
H 0.694058 1.309253 1.017753
H -0.716131 1.291210 -1.038189
H -0.731618 3.073364 -1.108556
H 4.722926 -0.241507 -1.897165
H 3.058778 -0.275420 -1.176466
H -4.696083 -0.392309 1.866737
H -3.030299 -0.371360 1.149150
H 1.741703 3.078519 -1.147941
H -1.815821 3.022380 1.132488
H 6.018724 -1.089988 2.004554
H -5.957982 -1.265167 -2.039739
H 4.263332 -2.391990 -0.168333
H 5.929927 -1.807520 -0.536689
H -4.154615 -2.517254 0.123068
H -5.841386 -1.997426 0.496389
H 3.775646 -3.212511 2.228533
H 3.553857 -1.466988 2.405279
H 4.558674 -2.356944 3.560130
H 6.055347 -4.101308 1.258031
H 6.796763 -3.402786 2.696346
H 7.405075 -2.967569 1.098603
H -3.639241 -3.302978 -2.279541
H -3.481300 -1.549346 -2.444140
H -4.453787 -2.467220 -3.604795
H -5.884514 -4.281013 -1.314508
H -6.651693 -3.599853 -2.747634
H -7.274518 -3.198299 -1.146671
H 5.748662 1.434912 0.233140
H -5.771666 1.263295 -0.253875


%chk=000258876-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258876

0 1
O 4.532616 -0.245411 0.259917
O -4.494892 -0.394377 -0.290568
O 5.534473 2.257992 0.620252
O -5.567525 2.079888 -0.633692
N 1.858882 2.442485 -0.217083
N -1.898964 2.373076 0.200844
C 4.326783 2.097592 -0.202259
C -4.354058 1.950822 0.185570
C 3.057921 2.353495 0.645814
C -3.094759 2.250258 -0.662392
C 0.564570 2.372836 0.493218
C -0.603246 2.355234 -0.510175
C 4.319604 0.704011 -0.848422
C -4.303738 0.553879 0.822848
C 4.806577 -2.540966 1.048314
C -4.712409 -2.691171 -1.092292
C 4.673503 -1.635909 -0.188223
C -4.596301 -1.790906 0.149405
C 3.534615 -2.481298 1.923811
C 5.121972 -3.989290 0.605512
C -3.448638 -2.589984 -1.975785
C -4.984319 -4.150532 -0.656985
H 4.405528 2.866886 -0.994079
H -4.454171 2.712352 0.982508
H 3.239802 3.263819 1.262843
H 2.920807 1.503251 1.340639
H -3.305644 3.157428 -1.274884
H -2.931146 1.408294 -1.361528
H 0.416107 3.219132 1.214644
H 0.539577 1.441819 1.088769
H -0.544330 1.430041 -1.112354
H -0.485909 3.211530 -1.225474
H 5.147427 0.610298 -1.583028
H 3.344056 0.518959 -1.341221
H -5.124901 0.431630 1.560761
H -3.320953 0.393775 1.309979
H 1.899727 3.267955 -0.833016
H -1.968224 3.191598 0.823519
H 5.661230 -2.158137 1.642744
H -5.581496 -2.328526 -1.678415
H 3.779525 -1.927375 -0.785399
H 5.571585 -1.726988 -0.839980
H -3.691673 -2.062441 0.739852
H -5.488051 -1.910152 0.805242
H 2.663951 -2.889705 1.374158
H 3.304046 -1.440113 2.207437
H 3.662784 -3.076638 2.846492
H 4.303072 -4.400184 -0.016350
H 5.235086 -4.647968 1.485591
H 6.058051 -4.044450 0.018514
H -2.563044 -2.977215 -1.434715
H -3.249323 -1.540832 -2.253712
H -3.566123 -3.182461 -2.901760
H -4.148864 -4.543316 -0.045524
H -5.088020 -4.806136 -1.540498
H -5.913014 -4.234831 -0.061741
H 5.662415 1.383701 1.079081
H -5.671163 1.204075 -1.095814


