%chk=000243393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243393

0 1
S 1.187081 1.700003 -0.886573
O -1.111819 0.111973 1.511279
N 0.025514 -0.796875 -0.974828
N -1.142030 -0.025398 -0.786565
N 2.379248 -0.587764 -0.307558
C 1.208826 -0.094044 -0.633908
C -0.080978 -2.186099 -0.495572
C 2.897673 1.748720 -0.526360
C 3.366607 0.433842 -0.247442
C -0.001968 -2.529986 0.860667
C -0.253158 -3.160360 -1.489745
C 3.749212 2.845779 -0.491043
C 4.716968 0.222113 0.067949
C -1.673532 0.364107 0.467527
C -2.959658 1.116988 0.324710
C 5.092049 2.622463 -0.175165
C 5.566271 1.327163 0.099823
C -0.097102 -3.875652 1.222599
C -0.347191 -4.501565 -1.108385
C -0.270375 -4.858877 0.242178
C -4.135568 0.548422 0.831562
C -2.976854 2.385515 -0.268464
C -5.338430 1.252977 0.731601
C -4.183488 3.085039 -0.361071
C -5.362426 2.518689 0.135665
H -1.663507 0.090869 -1.662384
H 0.132540 -1.750923 1.620023
H -0.298782 -2.875383 -2.540076
H 3.385395 3.849565 -0.701971
H 5.074893 -0.784415 0.280914
H 5.783735 3.462748 -0.140107
H 6.619698 1.187106 0.343372
H -0.032051 -4.156874 2.273198
H -0.475764 -5.270663 -1.868543
H -0.341628 -5.906416 0.530970
H -4.108996 -0.432668 1.308030
H -2.054365 2.829345 -0.645179
H -6.256694 0.816974 1.123628
H -4.203614 4.073965 -0.817612
H -6.301733 3.066697 0.061855


%chk=000243393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243393

0 1
S 1.082480 1.779102 -0.549613
O -1.296512 -0.001463 1.933269
N 0.075875 -0.827976 -0.372585
N -1.104878 -0.073422 -0.395319
N 2.489560 -0.532985 -0.343375
C 1.255676 -0.080360 -0.392823
C -0.035244 -2.266973 -0.297003
C 2.900137 1.829148 -0.529923
C 3.438750 0.505370 -0.413913
C -1.330047 -2.848002 -0.242663
C 1.110940 -3.105395 -0.300977
C 3.731544 2.960949 -0.603118
C 4.840737 0.326081 -0.374534
C -1.745657 0.319855 0.802726
C -2.996040 1.129366 0.598928
C 5.132124 2.763241 -0.563084
C 5.678313 1.457987 -0.450058
C -1.473477 -4.249751 -0.197326
C 0.945798 -4.505706 -0.254998
C -0.338842 -5.091659 -0.205494
C -3.961135 1.106311 1.638530
C -3.229204 1.923165 -0.555831
C -5.155407 1.844784 1.515322
C -4.424723 2.665213 -0.674063
C -5.392755 2.621389 0.355987
H -1.569564 0.025047 -1.302261
H -2.222778 -2.217608 -0.220003
H 2.104112 -2.655942 -0.328960
H 3.316271 3.970004 -0.686294
H 5.248464 -0.684864 -0.283279
H 5.798740 3.630396 -0.618230
H 6.765494 1.328625 -0.419145
H -2.479635 -4.680842 -0.150156
H 1.838327 -5.141493 -0.255822
H -0.454396 -6.179933 -0.168799
H -3.748883 0.511534 2.532997
H -2.467589 2.010017 -1.339994
H -5.898148 1.819723 2.319750
H -4.595096 3.286031 -1.560158
H -6.319332 3.198132 0.261295


