%chk=000258656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258656

0 1
O 3.818810 0.420020 0.407495
O 2.460909 -1.994961 -1.923022
O 1.295900 -0.215166 1.914673
O 2.897935 1.841677 1.886477
O 5.327216 -1.696007 -2.065663
O -2.139932 -1.795246 -0.199746
O -1.314576 -0.435033 -1.856946
N 0.079507 -1.386098 -0.227391
C 1.207775 -0.457915 -0.484329
C 2.489434 -1.312357 -0.662573
C 1.365429 0.533287 0.702092
C 3.739631 -0.405906 -0.769856
C 2.694213 1.318301 0.587418
C 5.055638 -1.206380 -0.754489
C -1.147544 -1.096946 -0.852806
C 4.097000 2.642719 2.035568
C -3.490043 -1.703717 -0.766336
C -4.171947 -0.472756 -0.243370
C -5.006333 -0.550500 0.880460
C -3.973592 0.759882 -0.883668
C -5.648756 0.598059 1.352417
C -4.616748 1.904554 -0.407640
C -5.456577 1.824529 0.708618
H 1.012994 0.112515 -1.437752
H 2.589228 -2.064972 0.151061
H 0.492739 1.228102 0.761979
H 3.687056 0.234249 -1.680432
H 2.717554 2.091731 -0.201544
H 5.031765 -2.045010 -0.037306
H 5.918957 -0.549789 -0.527687
H 0.041803 -1.746836 0.740283
H 1.621024 -2.501302 -2.020842
H 2.189164 -0.254526 2.347288
H 4.550925 -2.219528 -2.398521
H 4.082009 2.877294 3.107340
H 4.980115 2.051332 1.771427
H 4.020186 3.548759 1.429404
H -3.421077 -1.720007 -1.870805
H -3.930263 -2.649075 -0.395186
H -5.152057 -1.501314 1.390779
H -3.304646 0.819966 -1.747688
H -6.297594 0.536660 2.224503
H -4.463066 2.860108 -0.906538
H -5.958563 2.717505 1.077359


%chk=000258656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258656

0 1
O 4.007470 0.347521 0.456838
O 2.326769 -2.119316 -1.755623
O 1.533361 -0.298142 2.090603
O 3.143585 1.890305 2.005821
O 4.980748 -1.805589 -2.425022
O -2.114584 -1.809982 -0.203726
O -1.176847 -0.432236 -1.878106
N 0.071166 -1.208041 -0.038583
C 1.268832 -0.399339 -0.302633
C 2.504771 -1.296280 -0.551476
C 1.540300 0.542517 0.890508
C 3.761835 -0.427644 -0.778609
C 2.895604 1.270033 0.737261
C 5.020028 -1.264461 -1.068046
C -1.076178 -1.078582 -0.801098
C 4.386507 2.681756 2.065552
C -3.456353 -1.687770 -0.876322
C -4.236317 -0.501424 -0.352629
C -5.093076 -0.643422 0.768582
C -4.120779 0.767003 -0.978996
C -5.819779 0.462996 1.261712
C -4.847741 1.873693 -0.487261
C -5.698589 1.724581 0.633277
H 1.066839 0.189981 -1.216551
H 2.671556 -1.937076 0.338734
H 0.741591 1.309812 0.959982
H 3.585330 0.257404 -1.638596
H 2.844912 2.021490 -0.088867
H 5.119294 -2.067146 -0.305969
H 5.910791 -0.617130 -1.017643
H -0.010931 -1.617169 0.897309
H 1.441040 -2.561916 -1.714025
H 2.034619 0.191019 2.795107
H 4.085866 -2.232879 -2.540779
H 4.395450 3.141875 3.064643
H 5.265673 2.030584 1.928477
H 4.378095 3.470961 1.287772
H -3.282845 -1.614798 -1.963533
H -3.940179 -2.644231 -0.623823
H -5.187483 -1.621590 1.256252
H -3.450439 0.877491 -1.838733
H -6.479775 0.342821 2.128045
H -4.754017 2.849091 -0.977653
H -6.264519 2.583131 1.012330


