%chk=000244100.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244100

0 1
S 2.696477 -0.117811 1.024793
S -3.262077 -1.553479 0.089101
N 0.431162 1.873173 0.713228
N -1.241438 0.217506 0.302698
N -0.745108 -2.150749 0.579435
C -0.129794 2.971156 -0.123210
C 1.344078 2.614451 -0.202371
C 0.085222 0.514001 0.528938
C 1.030187 -0.520355 0.734230
C 0.562243 -1.843442 0.772453
C -1.590531 -1.096563 0.350197
C 3.565518 -1.053235 -0.258277
C -4.115156 0.016780 -0.123993
H -0.461720 3.853493 0.434824
H -0.804550 2.746592 -0.953931
H 1.752254 2.136457 -1.095591
H 2.097434 3.232179 0.301113
H 1.237799 -2.690637 0.956673
H 4.619612 -0.745338 -0.229844
H 3.174112 -0.846323 -1.259000
H 3.522926 -2.132532 -0.080882
H -3.780612 0.547667 -1.024634
H -3.954880 0.691657 0.729280
H -5.188757 -0.193148 -0.210931


%chk=000244100-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244100

0 1
S 2.855959 0.125350 0.486503
S -3.268665 -1.576141 -0.035685
N 0.411276 1.934203 0.568947
N -1.229360 0.259485 0.213828
N -0.630356 -2.085639 -0.009991
C -0.345051 3.083977 0.024094
C 1.115758 2.853374 -0.380855
C 0.089650 0.595543 0.325445
C 1.120069 -0.402790 0.276139
C 0.688300 -1.733258 0.091383
C -1.525657 -1.061554 0.071614
C 3.775762 -1.498853 0.256511
C -4.131609 0.083563 0.147945
H -0.586178 3.871465 0.744567
H -1.126774 2.861050 -0.711051
H 1.307164 2.484817 -1.395566
H 1.910367 3.464205 0.056817
H 1.399494 -2.561500 0.025343
H 4.841315 -1.238780 0.349220
H 3.583853 -1.920212 -0.742438
H 3.502374 -2.216837 1.045053
H -3.883538 0.734018 -0.702530
H -3.821161 0.563053 1.086646
H -5.208591 -0.147040 0.162361


