%chk=000239918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239918

0 1
S -0.803162 -1.762889 -0.420379
O -0.317033 -0.823282 -1.417752
O -1.128178 -3.123226 -0.781860
O -0.983907 1.151895 1.443136
N -2.265230 -1.066732 0.163279
N -1.093347 2.282105 -0.539835
N -0.068735 3.196232 -0.213702
C -3.926414 0.784941 0.375654
C -2.589961 0.322622 -0.229078
C -5.151785 0.192683 -0.353105
C -5.291860 0.771848 -1.765433
C -6.419427 0.461097 0.467010
C -1.465685 1.233282 0.327186
C 0.211722 -1.740349 1.004503
C 1.599872 -2.196744 0.686388
C 2.672221 -1.295749 0.757381
C 1.833074 -3.535916 0.331118
C 3.970165 -1.735048 0.479935
C 3.132459 -3.965794 0.055504
C 1.303020 2.737763 -0.347888
C 4.203629 -3.068433 0.131806
C 2.295057 3.559370 0.226800
C 1.665634 1.613806 -1.105490
C 3.640356 3.258991 0.015803
C 3.019179 1.329125 -1.302919
C 4.008686 2.145727 -0.748289
H -3.981681 1.892556 0.352194
H -3.957415 0.518221 1.453352
H -2.633021 0.412250 -1.352261
H -5.019923 -0.915325 -0.438948
H -3.091482 -1.650931 0.323984
H -5.435074 1.858056 -1.748743
H -4.408262 0.564120 -2.379339
H -6.155201 0.341266 -2.286199
H -7.305099 0.042241 -0.024675
H -6.601123 1.533843 0.597976
H -6.359651 0.013706 1.465078
H -0.210037 -2.365757 1.825075
H 0.219300 -0.719832 1.478767
H -1.242517 2.215503 -1.553688
H 2.498197 -0.250707 1.017953
H 0.999954 -4.238179 0.255477
H -0.247844 3.580448 0.735885
H 4.799856 -1.031335 0.535343
H 3.310501 -5.003976 -0.222345
H 5.214891 -3.407992 -0.082541
H 2.019073 4.429081 0.818334
H 0.914090 0.944092 -1.539094
H 4.408871 3.896708 0.451269
H 3.298557 0.455462 -1.893656
H 5.059091 1.919457 -0.910866


%chk=000239918-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239918

0 1
S -0.946848 -1.966244 -0.723712
O -0.140392 -0.863264 -1.625665
O -1.472388 -3.352598 -1.402563
O -0.789478 0.696534 1.406178
N -2.493565 -1.124713 -0.025822
N -0.973014 2.195436 -0.368643
N 0.035211 3.059645 0.067062
C -3.860652 0.887088 0.351014
C -2.559613 0.329794 -0.303939
C -5.190239 0.292384 -0.187956
C -5.345237 0.472233 -1.717113
C -6.377326 0.943149 0.562157
C -1.340924 1.047273 0.323849
C 0.027799 -2.366732 1.015366
C 1.475862 -2.551554 0.774552
C 2.345732 -1.426518 0.805241
C 2.012396 -3.843232 0.512758
C 3.728868 -1.594036 0.588610
C 3.396181 -4.007458 0.300438
C 1.399443 2.814349 -0.262357
C 4.256746 -2.883224 0.339796
C 2.381986 3.692720 0.271081
C 1.786105 1.765363 -1.135775
C 3.738907 3.520098 -0.068709
C 3.149695 1.613791 -1.472439
C 4.134169 2.483619 -0.948811
H -3.873570 1.984949 0.191602
H -3.789870 0.708713 1.440362
H -2.570956 0.551843 -1.393730
H -5.210926 -0.793708 0.043639
H -3.273561 -1.643157 -0.473927
H -5.310391 1.544704 -1.990929
H -4.555731 -0.049883 -2.289277
H -6.316254 0.070401 -2.059171
H -7.338898 0.508227 0.233844
H -6.414881 2.032335 0.366221
H -6.292760 0.797192 1.654829
H -0.536966 -3.263884 1.309969
H -0.262766 -1.464584 1.575130
H -1.371434 2.390747 -1.290907
H 1.931951 -0.429221 0.991541
H 1.342380 -4.710339 0.474118
H -0.159976 3.511756 0.963209
H 4.388805 -0.720170 0.608744
H 3.805168 -5.004197 0.102590
H 5.332341 -3.012425 0.174157
H 2.080973 4.509198 0.939594
H 1.047708 1.050933 -1.515135
H 4.487982 4.202498 0.349295
H 3.438778 0.795748 -2.142106
H 5.187830 2.358725 -1.220155


