%chk=000257047.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257047

0 1
S 0.891060 -0.453826 -1.041472
O -0.962800 2.095348 0.820727
O 2.421066 0.624086 2.244048
N -0.605985 2.083700 -1.402314
N 2.408030 1.877942 0.352153
C -0.713204 -0.109284 -0.180868
C -1.754120 -0.757898 -1.098784
C -3.257877 -0.551161 -0.780286
C -0.726517 -0.611484 1.260572
C -0.785984 1.427128 -0.186068
C 2.211197 -0.607303 0.199122
C -3.716040 -1.340885 0.449482
C -3.660731 0.918743 -0.652130
C -0.453529 -2.100556 1.427097
C 3.498488 -0.913421 -0.565421
C 2.331552 0.663511 1.027887
C 3.546777 -2.348494 -1.078855
H -1.567115 -1.856642 -1.109421
H -1.593790 -0.426891 -2.146651
H -3.805493 -0.972361 -1.667896
H -1.731687 -0.369549 1.694733
H -0.022404 -0.019596 1.890248
H 1.961529 -1.454835 0.901083
H -4.798145 -1.252669 0.595995
H -3.480086 -2.405845 0.362998
H -3.233788 -0.970374 1.368467
H -3.272090 1.377626 0.268025
H -3.310438 1.517344 -1.497851
H -4.751432 1.023874 -0.610776
H 0.605530 -2.349697 1.257650
H -0.693571 -2.423462 2.448572
H -1.051276 -2.711666 0.740593
H 4.364065 -0.736335 0.113506
H 3.640515 -0.202508 -1.406381
H -0.470196 1.612180 -2.278286
H -0.701883 3.087067 -1.437756
H 3.477987 -3.077161 -0.262209
H 2.728630 -2.564350 -1.778201
H 4.486726 -2.543088 -1.609733
H 2.352929 2.730409 0.896267
H 2.151200 1.968086 -0.618363


%chk=000257047-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257047

0 1
S 0.951919 -0.260477 -1.112492
O -1.682910 1.804389 1.167534
O 3.873391 0.868326 1.603288
N -0.718533 2.266145 -0.886031
N 2.211162 2.094278 0.545826
C -0.713570 -0.102666 -0.065728
C -1.745053 -0.782475 -1.035184
C -3.289795 -0.626415 -0.819393
C -0.550441 -0.790711 1.311895
C -1.067874 1.395644 0.138228
C 2.419071 -0.374091 0.113908
C -3.797563 -0.948201 0.607280
C -3.857843 0.734700 -1.298711
C -0.328975 -2.316368 1.274185
C 3.599705 -1.029742 -0.656270
C 2.885749 0.926482 0.806565
C 3.382079 -2.522965 -0.972132
H -1.496547 -1.859665 -1.033885
H -1.532215 -0.426539 -2.064647
H -3.715838 -1.398591 -1.496607
H -1.447901 -0.553976 1.907636
H 0.280495 -0.296877 1.851341
H 2.108190 -1.063518 0.918786
H -4.902097 -1.007080 0.607176
H -3.411448 -1.916655 0.975664
H -3.505644 -0.157235 1.320169
H -3.579141 1.557976 -0.619437
H -3.504632 0.983420 -2.317304
H -4.962844 0.691464 -1.326457
H 0.465987 -2.600591 0.559924
H -0.037897 -2.679266 2.276470
H -1.246140 -2.857952 0.982869
H 4.489222 -0.905412 -0.011038
H 3.794919 -0.462239 -1.587449
H -0.239896 1.924104 -1.721898
H -1.074544 3.221807 -0.849371
H 3.248401 -3.106392 -0.041451
H 2.490869 -2.678233 -1.605402
H 4.258303 -2.935949 -1.503834
H 2.507293 2.935643 1.040963
H 1.399684 2.131607 -0.075481


