%chk=000211131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211131

0 1
S 5.334300 -0.844213 0.036797
O 5.217742 -2.080230 -0.712110
O 6.448136 0.057879 -0.181511
N -4.233302 0.072592 0.097513
N 5.445118 -1.317746 1.689466
C -4.587377 -1.979208 -1.262159
C -6.516512 -0.895291 -0.076866
C -3.619390 -1.227687 -0.333630
C -5.520666 -0.158644 0.834843
C -5.934441 -2.225088 -0.571522
C -3.275494 0.848471 0.956609
C -2.174785 1.405077 0.095521
C -0.932505 1.603553 0.543703
C 0.151627 2.215931 -0.295125
C 1.443976 1.451821 -0.196978
C 2.642239 2.121410 0.100975
C 1.462699 0.065258 -0.428320
C 3.854922 0.029480 -0.052768
C 3.841281 1.410295 0.170608
C 2.663172 -0.639854 -0.356498
H -3.338471 -1.875017 0.524675
H -2.681989 -0.993409 -0.883561
H -5.937706 0.834694 1.108952
H -5.380505 -0.727861 1.778619
H -4.133015 -2.935041 -1.578919
H -4.745854 -1.385083 -2.184740
H -6.761803 -0.251483 -0.945764
H -7.463547 -1.063760 0.466371
H -6.638295 -2.712521 -1.271022
H -5.807418 -2.925388 0.275252
H -2.870133 0.254928 1.805463
H -3.826634 1.707704 1.409516
H -2.481763 1.654407 -0.923554
H -0.629090 1.346151 1.558615
H -0.148548 2.272648 -1.366652
H 0.285866 3.275683 0.018404
H 2.640977 3.195494 0.277466
H 0.534552 -0.455103 -0.663335
H 4.774879 1.940247 0.391511
H 2.673705 -1.718671 -0.549471
H 5.373616 -2.308765 1.907931
H 6.184136 -0.906859 2.255198


%chk=000211131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000211131

0 1
S 5.143330 -1.125593 -0.218158
O 4.750424 -2.455453 -1.074043
O 6.416054 -0.171416 -0.572506
N -4.219391 0.127217 0.054936
N 5.390362 -1.688567 1.521496
C -4.083204 -2.137917 -0.984736
C -6.328221 -1.134249 -0.379633
C -3.416961 -1.118488 -0.039007
C -5.593562 -0.145459 0.548454
C -5.526474 -2.447756 -0.525650
C -3.538382 1.183279 0.845777
C -2.314519 1.725455 0.138842
C -1.092949 1.884447 0.709924
C 0.109932 2.494191 0.015106
C 1.346058 1.594169 -0.004266
C 2.640916 2.147869 0.169305
C 1.221983 0.199679 -0.241175
C 3.615748 -0.034396 -0.116372
C 3.795971 1.337447 0.114423
C 2.359816 -0.632698 -0.301628
H -3.287282 -1.586295 0.974803
H -2.408273 -0.855069 -0.408068
H -6.143562 0.813764 0.593043
H -5.574110 -0.568174 1.589299
H -3.475289 -3.062667 -1.016101
H -4.103085 -1.713561 -2.007130
H -6.449685 -0.663240 -1.374300
H -7.339393 -1.335132 0.023889
H -6.024611 -3.128782 -1.241271
H -5.496638 -2.971485 0.452646
H -3.256619 0.834121 1.873433
H -4.268744 2.008133 0.978320
H -2.475007 2.016027 -0.910699
H -0.939992 1.567508 1.753416
H -0.169332 2.748065 -1.027755
H 0.378747 3.452008 0.504613
H 2.749687 3.224055 0.347564
H 0.224708 -0.232812 -0.379723
H 4.801523 1.755771 0.223955
H 2.281311 -1.704629 -0.509097
H 5.319960 -2.720104 1.531317
H 6.312452 -1.342461 1.836263


