%chk=000231368.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231368

0 1
S -5.419765 -0.640335 0.157314
O -5.392164 -1.985375 0.700465
O -6.339992 0.353660 0.680125
N 0.028556 1.696826 0.006920
N 1.466780 -0.219966 -0.081480
N -5.854921 -0.829232 -1.500066
C 3.911956 0.101407 -0.153536
C 3.713397 1.527935 -0.114869
C 2.757292 -0.733140 -0.134267
C 1.317246 1.114295 -0.046215
C 2.432989 2.029327 -0.062055
C -1.236202 1.062166 0.044086
C -3.834951 0.006573 0.115936
C 5.195703 -0.519361 -0.209151
C -2.360296 1.930669 0.078166
C -1.429945 -0.332657 0.054208
C 4.885555 2.449969 -0.131567
C 2.900527 -2.159062 -0.169811
C -3.641293 1.394383 0.114287
C -2.722497 -0.845477 0.091379
C 5.314156 -1.887539 -0.242924
C 4.153396 -2.714322 -0.222709
H 2.254906 3.099860 -0.031130
H 0.015265 2.721236 0.020642
H 6.085586 0.109322 -0.224413
H -2.230730 3.009560 0.078777
H -0.575228 -1.018225 0.035594
H 5.491093 2.312335 -1.040915
H 4.598101 3.510152 -0.099448
H 5.546073 2.273820 0.731807
H 1.996883 -2.769744 -0.152921
H -4.507680 2.066279 0.151546
H -2.867553 -1.932814 0.111460
H 6.292889 -2.361939 -0.285219
H 4.281234 -3.797129 -0.249836
H -5.962614 -1.774391 -1.859956
H -6.606755 -0.249065 -1.864026


%chk=000231368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000231368

0 1
S -5.556407 -0.642040 0.139727
O -5.486755 -2.150499 0.755838
O -6.529647 0.527594 0.730201
N 0.058352 1.656859 0.002606
N 1.497339 -0.247029 -0.079440
N -6.027036 -0.831856 -1.635681
C 3.966589 0.102162 -0.145294
C 3.763658 1.537747 -0.105536
C 2.793719 -0.746508 -0.130030
C 1.342870 1.088625 -0.043964
C 2.455979 2.010712 -0.056037
C -1.217110 1.059511 0.028070
C -3.819836 0.037563 0.081854
C 5.259794 -0.505726 -0.198163
C -2.341729 1.939139 0.068414
C -1.428477 -0.350400 0.026821
C 4.938685 2.493037 -0.116892
C 2.959321 -2.166170 -0.168087
C -3.651325 1.433288 0.093071
C -2.740671 -0.860411 0.054082
C 5.396732 -1.898232 -0.235121
C 4.237319 -2.732615 -0.219854
H 2.266332 3.090816 -0.025154
H 0.051466 2.678445 0.019780
H 6.153934 0.126854 -0.209877
H -2.186339 3.025387 0.082434
H -0.558048 -1.006787 0.005422
H 5.554338 2.360575 -1.026283
H 4.600763 3.542074 -0.085102
H 5.602116 2.322351 0.751633
H 2.056767 -2.784799 -0.155022
H -4.520488 2.096070 0.145732
H -2.920467 -1.940024 0.077590
H 6.392717 -2.352337 -0.275637
H 4.352822 -3.821785 -0.248526
H -6.190494 -1.838341 -1.811311
H -6.869790 -0.253248 -1.796062


