%chk=000247791.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247791

0 1
S 6.193705 -0.245171 -0.521675
O 6.306528 0.520492 -2.027358
O 7.132465 0.435034 0.331042
O 6.377636 -1.639984 -0.844310
N 0.631295 1.081943 0.966293
N -0.402913 0.252368 0.626407
C -3.939009 0.198766 0.040692
C -5.003992 -0.697068 -0.241913
C -2.720546 -0.334168 0.594069
C -4.116424 1.589333 -0.248308
C -4.841508 -2.096427 0.012964
C -2.590782 -1.688798 0.817695
C -6.226406 -0.186804 -0.785388
C -3.662993 -2.576985 0.523671
C 4.587618 0.119696 -0.099374
C 1.942544 0.722141 0.586671
C -1.622104 0.590750 0.947994
C -5.297678 2.052180 -0.772635
C -6.369814 1.153220 -1.041924
C 4.295750 1.290679 0.615102
C 3.545567 -0.748301 -0.468765
C 2.987253 1.603157 0.963448
C 2.230746 -0.460598 -0.132805
H -3.295846 2.278557 -0.056902
H -5.669821 -2.767899 -0.210561
H -1.664087 -2.099189 1.222164
H -7.036566 -0.885302 -0.991864
H -3.526004 -3.641156 0.713856
H -1.934067 1.505813 1.472250
H -5.433614 3.109900 -0.994225
H -7.296163 1.549332 -1.455442
H 5.108740 1.967158 0.909812
H 3.773501 -1.667784 -1.023427
H 2.779155 2.514074 1.518165
H 1.420990 -1.134649 -0.420908
H 0.482533 1.963093 1.468124
H 6.978008 0.175698 -2.630238


%chk=000247791-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247791

0 1
S 6.487562 -0.368425 0.150738
O 6.753503 -0.171420 -1.685061
O 7.373976 0.756396 0.907552
O 6.662299 -1.936374 0.515976
N 0.658906 1.193609 0.229559
N -0.345162 0.264931 0.085800
C -4.095041 0.261318 -0.011551
C -5.174374 -0.702513 -0.145802
C -2.724312 -0.224574 -0.022050
C -4.450355 1.646689 0.122882
C -4.873411 -2.095411 -0.286982
C -2.483196 -1.607855 -0.164528
C -6.535576 -0.248170 -0.136986
C -3.547210 -2.538086 -0.296962
C 4.696812 0.104477 0.162903
C 2.003843 0.809442 0.203091
C -1.593253 0.699443 0.115844
C -5.785396 2.059327 0.127596
C -6.842086 1.105470 -0.002838
C 4.365701 1.459930 0.342122
C 3.734170 -0.909271 0.000219
C 3.005793 1.810422 0.366141
C 2.375725 -0.554670 0.025190
H -3.672705 2.410334 0.223091
H -5.700295 -2.808194 -0.387160
H -1.445578 -1.955005 -0.168591
H -7.335331 -0.991328 -0.239105
H -3.321633 -3.604152 -0.405431
H -1.807507 1.775522 0.249309
H -6.026680 3.122923 0.231707
H -7.884223 1.442013 0.002469
H 5.149666 2.211476 0.475480
H 4.044306 -1.951209 -0.125943
H 2.719565 2.859074 0.509045
H 1.592695 -1.305741 -0.092826
H 0.434036 2.191137 0.360124
H 7.708462 -0.408434 -1.872626


