%chk=000260844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260844

0 1
S 4.923580 0.628104 1.397647
S -5.692671 -0.308104 1.412283
O -2.918718 2.034392 -2.017301
O 4.748284 1.968388 1.922558
O 5.315787 -0.467798 2.265651
N 0.178404 -0.983646 -1.799713
N -1.468755 -2.335844 -0.503530
N -3.423458 -1.227145 0.361776
N -4.169977 0.913855 -0.443571
N 6.180046 0.755849 0.226870
C -0.870177 0.016026 -2.174324
C -0.434698 -2.323212 -1.590233
C -2.086600 -0.082173 -1.296548
C -2.302327 -1.175350 -0.497861
C 1.257002 -0.588604 -0.966394
C -3.035560 1.045909 -1.331910
C 1.582482 0.779288 -0.800026
C 2.090480 -1.570145 -0.374175
C 3.538251 0.170523 0.498785
C 2.710847 1.144864 -0.077227
C 3.217841 -1.183324 0.341863
C -4.320194 -0.129703 0.313624
C -6.575973 1.246356 1.229093
H -1.152121 -0.172882 -3.239154
H -0.458680 1.056265 -2.144960
H 0.341236 -3.093977 -1.365213
H -0.948664 -2.616450 -2.543585
H -1.098324 -2.593088 0.418148
H -3.615218 -2.061863 0.916363
H 0.946732 1.551858 -1.239114
H 1.872542 -2.629011 -0.494874
H 2.946347 2.208589 0.054377
H 3.856082 -1.950550 0.798730
H 6.564277 1.678457 0.036599
H 6.940980 0.082040 0.266678
H -6.759605 1.495070 0.169666
H -7.541466 1.158274 1.744217
H -6.012812 2.089361 1.656584


%chk=000260844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260844

0 1
S 4.835846 0.554124 1.602596
S -5.475930 -0.092083 1.649375
O -2.827772 2.026951 -2.204667
O 4.390984 1.889277 2.425905
O 5.411550 -0.789061 2.324830
N 0.146696 -1.106384 -1.920835
N -1.497902 -2.342963 -0.589970
N -3.344314 -1.136474 0.341061
N -4.027654 1.016582 -0.439616
N 6.159904 1.029765 0.405784
C -0.877999 -0.131838 -2.376356
C -0.490606 -2.415783 -1.688203
C -2.076170 -0.120529 -1.439240
C -2.283295 -1.187101 -0.573522
C 1.217406 -0.698687 -1.084211
C -2.975599 1.037780 -1.425500
C 1.306072 0.623484 -0.552936
C 2.264696 -1.624885 -0.782696
C 3.403650 0.063577 0.511315
C 2.402778 1.009434 0.241734
C 3.357389 -1.251324 0.016647
C -4.165632 -0.004954 0.362009
C -6.370245 1.523046 1.285823
H -1.189119 -0.411584 -3.402021
H -0.456345 0.880993 -2.464260
H 0.241105 -3.193189 -1.431536
H -1.010770 -2.710984 -2.615698
H -1.254448 -2.778746 0.303827
H -3.575221 -1.953180 0.912150
H 0.509429 1.350287 -0.730690
H 2.248819 -2.632020 -1.211331
H 2.458289 2.012530 0.676933
H 4.155575 -1.961403 0.254240
H 6.238244 2.060709 0.395162
H 7.028759 0.562379 0.716557
H -7.400813 1.292243 0.982675
H -6.344771 2.141655 2.193383
H -5.807388 1.998956 0.463080


