%chk=000280182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280182

0 1
S 4.479293 -1.460124 0.938238
O -2.051487 -0.161391 -1.198106
O -2.940437 -0.268202 2.072604
O -5.300969 -1.618656 -0.485483
N -0.107612 0.303967 0.056266
N -2.847784 2.710866 0.101249
N 1.265045 -0.984072 1.390281
N 1.610629 1.033943 -1.625776
N 3.830733 0.136000 -1.126698
C -2.281268 1.439708 0.576790
C -1.331252 0.883749 -0.527911
C -3.308351 0.287906 0.804851
C -3.058569 -0.740038 -0.324515
C -4.258311 -1.002750 -1.246609
C 1.173158 0.361893 -0.515637
C 0.017432 -0.549721 1.208865
C 2.024928 -0.441224 0.337929
C 3.384388 -0.518017 -0.030704
C 2.935887 0.878096 -1.871697
C 6.072913 -1.280099 0.120251
H -1.726121 1.630316 1.537780
H -1.058144 1.606779 -1.342041
H -4.356072 0.637911 0.859452
H -2.638919 -1.689362 0.077456
H -3.999653 -1.764993 -2.012228
H -4.610300 -0.091560 -1.755260
H -3.324550 3.212904 0.843449
H -3.490891 2.586008 -0.673681
H -3.541888 -1.006733 2.317662
H -0.845224 -0.767780 1.839034
H -5.890074 -0.945076 -0.093209
H 3.349573 1.392973 -2.754456
H 6.811935 -1.858919 0.687726
H 6.396434 -0.230896 0.079133
H 6.047026 -1.650810 -0.913804


%chk=000280182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280182

0 1
S 4.438534 -1.599599 0.995775
O -2.059351 0.196118 -1.315215
O -3.202995 -0.216144 2.062716
O -4.915208 -1.806053 -0.119938
N -0.112957 0.429270 0.140012
N -2.871155 2.875413 0.185511
N 1.202750 -0.886883 1.496388
N 1.566680 1.030463 -1.583251
N 3.757024 0.026935 -1.126333
C -2.307095 1.595831 0.621604
C -1.283577 1.103775 -0.442014
C -3.322901 0.399455 0.737943
C -2.919867 -0.585662 -0.396336
C -4.101384 -1.157218 -1.169965
C 1.156764 0.401346 -0.449886
C -0.021321 -0.365446 1.304766
C 1.958989 -0.417479 0.405082
C 3.311908 -0.585593 0.008425
C 2.882341 0.794117 -1.853876
C 6.009814 -1.424647 -0.025833
H -1.828549 1.745500 1.603597
H -0.911142 1.911016 -1.088184
H -4.353463 0.774221 0.581332
H -2.336648 -1.418922 0.048189
H -3.758263 -1.888396 -1.927291
H -4.667266 -0.346058 -1.671754
H -3.401835 3.383040 0.895953
H -3.325070 2.863592 -0.732004
H -3.831843 -0.983356 2.093520
H -0.877279 -0.510850 1.964734
H -5.644785 -2.332140 -0.528496
H 3.291025 1.267395 -2.750934
H 6.767423 -2.022291 0.504420
H 6.303749 -0.367464 -0.077566
H 5.838447 -1.810691 -1.039890


