%chk=000257006.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257006

0 1
S 0.597945 0.274864 -1.044967
O -4.084954 0.535411 -1.033405
O -1.362727 -0.801505 1.812731
O -3.131191 -2.106210 0.295450
O -3.595607 2.421261 0.216166
O 0.788920 1.677580 -0.766281
O 0.921130 -0.275740 -2.342324
N -1.098944 -0.042683 -0.868007
C -1.873158 0.812249 0.050739
C -2.406687 -0.001923 1.264865
C -3.611199 -0.914034 0.922734
C -3.063543 1.468854 -0.692040
C -4.662127 -0.198124 0.067871
C 1.277621 -0.720759 0.227039
C 2.754620 -0.511141 0.340640
C 3.299910 0.067325 1.495976
C 3.599695 -0.912162 -0.707663
C 4.683484 0.240304 1.601055
C 4.979848 -0.735294 -0.594094
C 5.525060 -0.161365 0.559931
H -1.223600 1.644687 0.459507
H -2.665409 0.707769 2.088000
H -4.066805 -1.319466 1.860566
H -2.812653 1.926387 -1.672972
H -5.324308 -0.913381 -0.458707
H -5.262083 0.505569 0.673288
H -1.628879 -0.356271 -1.690156
H 0.762196 -0.526650 1.205783
H 1.071252 -1.802309 0.056141
H -1.334384 -1.675914 1.330182
H -2.828808 -1.913899 -0.623699
H -4.360466 2.895915 -0.174753
H 2.651040 0.389100 2.308880
H 3.180551 -1.348966 -1.617212
H 5.104256 0.692887 2.498120
H 5.633004 -1.043281 -1.410010
H 6.601398 -0.024485 0.644125


%chk=000257006-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257006

0 1
S 0.534175 0.355652 -1.111072
O -4.130024 0.602326 -1.062197
O -1.397104 -0.707147 1.964347
O -2.874179 -2.068950 0.129574
O -3.755964 2.452449 0.461700
O 0.797212 1.865959 -0.555117
O 0.846145 -0.027169 -2.659975
N -1.349657 -0.056009 -0.879431
C -1.988458 0.860472 0.126758
C -2.500431 0.027377 1.332827
C -3.574050 -0.981087 0.844303
C -3.173653 1.583709 -0.543521
C -4.664114 -0.292649 -0.000843
C 1.359726 -0.977716 0.162127
C 2.807112 -0.697518 0.307150
C 3.263008 0.198610 1.313158
C 3.751303 -1.308895 -0.563782
C 4.640208 0.464481 1.454474
C 5.127569 -1.040061 -0.420259
C 5.574361 -0.154543 0.589764
H -1.254442 1.617301 0.467300
H -2.912776 0.717959 2.085700
H -4.062635 -1.471900 1.705383
H -2.858100 2.145610 -1.443880
H -5.250909 -1.047586 -0.545802
H -5.326839 0.294301 0.664815
H -1.720963 0.108603 -1.839975
H 0.728134 -0.791283 1.046495
H 1.097943 -1.911268 -0.358022
H -1.468899 -1.638950 1.607104
H -2.215719 -1.603115 -0.491662
H -4.432364 3.039399 0.038953
H 2.535731 0.684832 1.972779
H 3.402005 -1.984967 -1.352801
H 4.986597 1.154725 2.230884
H 5.850273 -1.513202 -1.093428
H 6.644175 0.054853 0.699670


