%chk=000271031.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271031

0 1
S -4.694355 1.587115 0.169276
O -6.633195 -0.955696 2.238063
O 3.745341 -0.720705 -1.712906
O -5.107498 2.792100 0.852559
O -5.310940 1.175939 -1.066629
N 5.121740 -0.207920 0.136295
N -4.883135 0.310136 1.342105
N 5.205123 0.814533 1.080714
N 2.020196 1.148680 0.001794
N 1.195504 1.859575 -0.598473
C 3.433025 1.362574 -0.385118
C 4.278925 1.717109 0.847503
C 4.046155 -0.008510 -0.796579
C -5.990845 -1.709665 0.162260
C -5.770245 -0.754844 1.133614
C -2.975876 1.622377 -0.013942
C 6.015757 -1.335685 0.236356
C -7.055459 -2.560389 0.672302
C 4.057648 2.937153 1.643729
C -2.243554 2.665747 0.565618
C -2.324084 0.623547 -0.744218
C -0.213049 1.708816 -0.314608
C -7.399314 -2.084258 1.912261
C -5.310853 -1.842913 -1.140159
C -0.857439 2.718843 0.421964
C -0.936678 0.654768 -0.896809
C 5.910880 -2.376000 -0.703647
C 6.984014 -1.382550 1.256879
C -7.640435 -3.720495 -0.031097
C 6.784377 -3.461932 -0.613162
C 7.844986 -2.478184 1.325720
C 7.750525 -3.518887 0.395314
H 3.605160 2.103645 -1.211687
H -4.850534 0.586261 2.341959
H 4.019039 3.838346 1.012616
H 4.855120 3.093658 2.391844
H 3.105752 2.878020 2.199300
H -2.761154 3.451750 1.132549
H -2.897124 -0.191077 -1.202508
H -8.086888 -2.357442 2.677335
H -4.244628 -2.075055 -1.021136
H -5.753293 -2.638224 -1.755060
H -5.398125 -0.903296 -1.723428
H -0.285467 3.532485 0.865761
H -0.422731 -0.125097 -1.460521
H 5.160302 -2.347846 -1.497874
H 7.063322 -0.575711 1.986687
H -8.102769 -3.412958 -0.982212
H -6.871733 -4.471324 -0.268680
H -8.416793 -4.221572 0.562586
H 6.706755 -4.271071 -1.339791
H 8.596905 -2.520326 2.113764
H 8.426242 -4.369046 0.457316


%chk=000271031-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271031

0 1
S -4.706683 1.250294 -0.845623
O -7.841448 0.112563 1.040066
O 4.195407 0.418894 -1.901622
O -5.157630 2.552460 -1.756015
O -4.955477 -0.284464 -1.420118
N 5.223452 -0.206912 0.170325
N -5.531572 0.816119 1.386659
N 5.058828 0.108984 1.563597
N 2.031067 1.007453 0.248244
N 1.324106 2.001655 -0.203348
C 3.471940 1.357566 0.324510
C 4.072032 0.976147 1.670719
C 4.308062 0.478501 -0.653595
C -6.209281 -1.560530 0.985018
C -6.413927 -0.159849 1.193532
C -2.829177 1.426442 -0.641835
C 6.253742 -1.128573 -0.197665
C -7.489684 -2.152564 0.723231
C 3.601309 1.496516 2.991019
C -2.271373 2.698131 -0.855922
C -2.066761 0.294448 -0.292259
C -0.083567 1.723830 -0.333165
C -8.428897 -1.117915 0.779506
C -4.886854 -2.254542 1.045792
C -0.875874 2.839238 -0.704945
C -0.677170 0.444537 -0.138084
C 6.444322 -1.493711 -1.556838
C 7.086060 -1.674044 0.814365
C -7.768984 -3.602701 0.436164
C 7.470786 -2.403958 -1.887194
C 8.104788 -2.582168 0.461823
C 8.305837 -2.953511 -0.888062
H 3.630022 2.428188 0.076796
H -5.958671 1.746739 1.561532
H 3.664961 2.600226 3.030593
H 4.205282 1.074202 3.809616
H 2.540024 1.228321 3.151828
H -2.910370 3.532937 -1.160610
H -2.550130 -0.680149 -0.176747
H -9.511806 -1.116942 0.668585
H -4.159894 -1.660155 1.623566
H -4.974835 -3.260406 1.494071
H -4.488528 -2.370573 0.018145
H -0.380125 3.800721 -0.871142
H -0.038002 -0.404356 0.122014
H 5.802134 -1.070965 -2.332032
H 6.923652 -1.382674 1.854116
H -7.256649 -3.925643 -0.488535
H -7.409521 -4.252926 1.255238
H -8.848266 -3.788696 0.305868
H 7.614449 -2.682651 -2.936967
H 8.743851 -3.000160 1.247531
H 9.099643 -3.658874 -1.155946


