%chk=000253264.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253264

0 1
O 3.818697 1.562129 0.621970
O 6.263831 -0.473481 0.002151
O 4.226326 -1.456128 -0.146292
N -3.772359 0.687454 -0.118529
N -2.442684 0.531402 0.027228
N -1.711995 1.561913 -0.129873
C -4.544643 -0.532094 -0.123977
C 2.443155 1.402350 0.476184
C -0.301752 1.414885 0.095878
C 1.748011 0.194522 0.561645
C 1.800543 2.623924 0.193266
C -5.701157 -0.628571 -0.920262
C -4.156729 -1.608785 0.699294
C 0.364540 0.207293 0.370781
C 0.425774 2.624705 -0.000480
C 4.571303 0.530073 1.274500
C -4.406227 1.964691 -0.541748
C -6.468918 -1.794674 -0.872638
C -4.933585 -2.766474 0.723457
C -6.092335 -2.863654 -0.055339
C 4.932233 -0.582846 0.294822
C 6.857917 -1.450380 -0.915779
C 7.090837 -2.760085 -0.194276
H 2.264263 -0.751712 0.732295
H 2.386724 3.538505 0.127276
H -5.999132 0.182001 -1.580478
H -3.256696 -1.538150 1.310409
H -0.195795 -0.727726 0.427996
H -0.101556 3.553904 -0.224674
H 4.033490 0.118581 2.148477
H 5.475748 1.089949 1.604162
H -5.457120 1.996046 -0.215784
H -3.882583 2.819796 -0.070729
H -4.349927 2.105804 -1.633775
H -7.366834 -1.869530 -1.485909
H -4.634788 -3.600722 1.358350
H -6.694777 -3.768584 -0.026222
H 7.792347 -0.927645 -1.191510
H 6.191551 -1.555856 -1.790390
H 6.138630 -3.251879 0.056865
H 7.640254 -2.614500 0.744474
H 7.666621 -3.460152 -0.812014


%chk=000253264-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253264

0 1
O 3.982062 1.530377 1.366431
O 4.973870 -0.581085 -0.098546
O 4.992781 -1.981978 1.771011
N -3.456384 0.583443 -0.585877
N -2.153556 0.460835 -0.143015
N -1.416556 1.526130 -0.336559
C -4.291125 -0.558159 -0.405715
C 2.632879 1.411244 0.977801
C -0.073321 1.405292 0.133179
C 1.814324 0.281361 1.237027
C 2.103585 2.535547 0.299974
C -5.657922 -0.501449 -0.793951
C -3.779291 -1.762449 0.157147
C 0.470932 0.282361 0.815632
C 0.762713 2.529148 -0.115471
C 4.588401 0.415917 2.078817
C -3.965353 1.821267 -1.207183
C -6.491737 -1.627652 -0.620427
C -4.624776 -2.875263 0.323702
C -5.986443 -2.821797 -0.061886
C 4.856133 -0.849611 1.249584
C 5.274311 -1.748522 -0.993126
C 6.783936 -1.986062 -1.072276
H 2.205354 -0.597278 1.760114
H 2.756119 3.393070 0.112535
H -6.078908 0.409972 -1.226984
H -2.729857 -1.806395 0.453219
H -0.167384 -0.583750 1.013644
H 0.333888 3.388997 -0.639992
H 3.996427 0.115770 2.964383
H 5.561498 0.804358 2.426614
H -4.782268 2.253899 -0.601797
H -3.123951 2.528596 -1.249560
H -4.333997 1.618992 -2.228634
H -7.542503 -1.564817 -0.925147
H -4.215555 -3.794575 0.758009
H -6.636786 -3.692684 0.070487
H 4.847144 -1.441522 -1.960274
H 4.744040 -2.634404 -0.601861
H 7.184493 -2.305012 -0.095509
H 7.309448 -1.071610 -1.396694
H 6.994536 -2.784201 -1.808024


