%chk=000255749.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000255749

0 1
S 0.565906 -1.779995 0.013103
O -5.263636 -1.888472 0.017083
O -5.337000 2.731715 -0.012258
N -2.172668 -1.669305 0.013715
N -3.257285 1.747783 -0.006748
N -5.304122 0.416261 0.002456
N -1.148782 0.387572 0.000651
C 5.616690 -0.515935 0.002753
C 4.207656 0.091392 -0.000933
C 6.695206 0.575905 -0.005054
C 3.129093 -1.004422 0.006671
C 8.104986 -0.029957 -0.001490
C 1.740480 -0.382486 0.003116
C -3.192111 -0.697594 0.008295
C -2.525832 0.562690 0.000243
C 9.185328 1.060873 -0.009512
C -0.975693 -0.981017 0.008978
C -4.625660 -0.852602 0.010121
C -4.686921 1.703512 -0.005904
C -2.391098 -3.115692 0.022915
C 10.590672 0.463561 -0.006381
C -2.560524 3.056624 -0.014941
C -6.793572 0.421803 0.003335
H 5.746523 -1.165208 0.890361
H 5.745946 -1.177280 -0.875978
H 4.080050 0.740998 -0.888914
H 4.080532 0.752807 0.878358
H 6.568361 1.237650 0.873573
H 6.567680 1.225701 -0.892452
H 3.268143 -1.663918 -0.875444
H 3.268827 -1.652299 0.897248
H 8.234894 -0.691631 -0.879399
H 8.235664 -0.679414 0.885384
H 1.564757 0.264349 0.885653
H 1.563929 0.252355 -0.887908
H 9.058954 1.722531 0.869769
H 9.057851 1.710639 -0.897460
H -3.483174 -3.341001 0.025042
H -1.947795 -3.578822 0.924428
H -1.948906 -3.590079 -0.873272
H 10.763645 -0.167220 -0.885742
H 10.764273 -0.156531 0.880426
H 11.354681 1.249115 -0.011398
H -1.923540 3.155330 0.881961
H -3.299418 3.881168 -0.023013
H -1.919050 3.141702 -0.910043
H -7.174075 -0.617213 0.007762
H -7.175402 0.946801 0.895981
H -7.176463 0.939656 -0.893038


%chk=000255749-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000255749

0 1
S 0.467801 -2.063911 -0.000526
O -5.432305 -1.827118 -0.048547
O -5.182684 2.883534 0.071158
N -2.302136 -1.761361 -0.022060
N -3.155274 1.700809 0.055648
N -5.273936 0.541171 0.010497
N -1.166116 0.230769 0.033151
C 5.624235 -0.529140 0.056853
C 4.170650 -0.014607 -0.050468
C 6.677024 0.594966 -0.070649
C 3.126688 -1.155288 0.039477
C 8.130838 0.084888 0.049376
C 1.695953 -0.604812 -0.037021
C -3.267872 -0.733533 -0.005023
C -2.533241 0.462168 0.029281
C 9.185737 1.205706 -0.094234
C -1.066727 -1.130015 0.002854
C -4.703601 -0.783446 -0.017586
C -4.569785 1.777591 0.047830
C -2.561495 -3.210095 -0.061802
C 10.635134 0.687764 0.027632
C -2.356957 2.940415 0.095158
C -6.750593 0.654526 0.001562
H 5.758845 -1.049772 1.027701
H 5.803549 -1.289247 -0.732003
H 4.043044 0.526958 -1.010377
H 3.982934 0.724895 0.755152
H 6.492751 1.362053 0.710553
H 6.548639 1.108432 -1.046543
H 3.302919 -1.875073 -0.784561
H 3.267475 -1.709514 0.988260
H 8.313860 -0.689569 -0.724943
H 8.264569 -0.419029 1.029553
H 1.443464 0.043387 0.816527
H 1.504284 -0.052859 -0.970929
H 9.002399 1.980006 0.678725
H 9.051849 1.707856 -1.074192
H -3.652093 -3.358540 -0.079830
H -2.135739 -3.700630 0.831066
H -2.111197 -3.654433 -0.966796
H 10.855085 -0.062687 -0.755143
H 10.802352 0.205756 1.009475
H 11.369122 1.508070 -0.075148
H -1.724212 2.954972 0.998569
H -3.059226 3.786440 0.109480
H -1.705844 3.000197 -0.793117
H -7.156521 -0.367098 -0.029481
H -7.095185 1.181143 0.906498
H -7.080460 1.229706 -0.878956


