%chk=000105605.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000105605

0 1
S 5.023938 -0.495345 -1.754072
O -4.853067 0.904791 0.836945
O 5.158244 -2.176664 -1.667202
O 4.375145 -0.275997 -3.021444
O 6.337329 0.026134 -1.498586
N -0.244107 -0.308661 -0.617600
N 0.307017 0.124684 0.425139
N -5.850791 -0.317634 -1.319884
C 3.977838 -0.203792 -0.421976
C -3.891991 0.350007 0.016770
C -4.454372 -0.231417 -1.174515
C -1.672557 -0.238951 -0.722012
C 1.748223 0.044685 0.484746
C 2.594729 -0.191702 -0.614211
C -2.528855 0.343944 0.246620
C 4.523219 0.014638 0.848624
C -3.581039 -0.785733 -2.119505
C -2.199442 -0.794244 -1.895930
C 2.295088 0.265415 1.765734
C 3.679939 0.247924 1.939546
C -4.410169 1.484984 2.107173
C -5.706631 1.949999 2.739603
H 2.161872 -0.356805 -1.611072
H -2.092382 0.775918 1.145892
H 5.610653 0.010614 0.990935
H -3.976845 -1.229339 -3.031622
H -1.532347 -1.236081 -2.639352
H 1.629602 0.448144 2.613811
H 4.106068 0.417320 2.928881
H -3.905715 0.696483 2.692080
H -3.716512 2.314335 1.886283
H -5.532252 2.384622 3.730900
H -6.207645 2.706585 2.120638
H -6.414504 1.116665 2.855169
H -6.395353 0.286716 -0.714214
H -6.204431 -0.353320 -2.264151
H 5.276805 -2.638722 -2.509542


%chk=000105605-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105605

0 1
S 5.005930 -0.888776 -1.748242
O -4.885319 0.787917 0.863436
O 5.027884 -2.667389 -1.195447
O 4.257450 -0.810294 -3.180411
O 6.499788 -0.286500 -1.577374
N -0.242511 -0.123092 -0.761260
N 0.252835 0.289833 0.388155
N -5.828933 -0.035764 -1.468302
C 3.885381 -0.270872 -0.362909
C -3.903231 0.377659 -0.056247
C -4.457865 -0.064557 -1.314801
C -1.646040 -0.075181 -0.871017
C 1.678803 0.220892 0.457404
C 2.511026 -0.272360 -0.591462
C -2.527319 0.374849 0.165823
C 4.515165 0.177942 0.812815
C -3.569480 -0.507504 -2.333128
C -2.183829 -0.512529 -2.112965
C 2.271981 0.678070 1.665086
C 3.671895 0.661223 1.839811
C -4.427227 1.254552 2.189107
C -5.671125 1.628216 2.989369
H 2.061700 -0.618092 -1.527477
H -2.078623 0.704103 1.106894
H 5.604726 0.161978 0.909179
H -3.978734 -0.845106 -3.291801
H -1.486685 -0.849765 -2.885975
H 1.608186 1.049258 2.452396
H 4.112182 1.022173 2.774588
H -3.856495 0.440069 2.678949
H -3.754601 2.124903 2.051043
H -5.378597 1.984042 3.993689
H -6.234290 2.433128 2.486716
H -6.336342 0.756175 3.110477
H -6.401080 0.294122 -0.693263
H -6.270261 -0.338203 -2.332011
H 5.588355 -3.174919 -1.852246


