%chk=000131261.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000131261

0 1
S -5.077070 -5.571812 1.201478
O 1.632563 0.683878 -1.342892
O 1.204351 1.492542 0.714040
N 4.761883 -0.789014 0.032858
N -3.222305 -3.696711 0.396054
C -0.658223 1.249254 -0.920457
C -1.351171 -0.057498 -0.536407
C -1.343644 2.456715 -0.284400
C -0.621272 1.327951 -2.454501
C 0.791850 1.192975 -0.380176
C 3.281900 -0.649752 -0.129094
C 3.056486 0.576290 -1.024785
C -0.667203 -1.277067 -0.685151
C -2.680791 -0.065920 -0.089850
C -2.010369 3.419056 -1.054091
C -1.328974 2.596437 1.115586
C 5.254708 -0.017553 1.222287
C 5.198734 -2.215091 0.036670
C -1.283307 -2.486877 -0.374811
C -3.321153 -1.264700 0.226464
C -2.645386 4.503299 -0.437694
C -1.961391 3.679130 1.727626
C -2.613725 -2.472064 0.084957
C 6.756933 0.236816 1.093832
C 4.663366 -3.084960 1.176774
C -2.623362 4.637156 0.952011
C -4.089055 -4.432519 0.761913
H -1.630411 1.303760 -2.882108
H -0.116992 2.238791 -2.800803
H -0.064798 0.480858 -2.883857
H 2.733652 -0.525210 0.831122
H 2.851073 -1.549016 -0.618046
H 3.498546 0.461515 -2.030686
H 3.393197 1.516296 -0.556775
H 0.362765 -1.282547 -1.057710
H -3.233618 0.872140 0.016083
H -2.047401 3.342791 -2.139753
H -0.800102 1.862511 1.730863
H 5.033854 -0.527438 2.185294
H 4.719249 0.958460 1.252846
H 6.312578 -2.216369 0.054226
H 4.907180 -2.653099 -0.944291
H -0.748881 -3.430342 -0.487471
H -4.352788 -1.259950 0.576982
H -3.157046 5.245608 -1.048405
H -1.934800 3.778769 2.812038
H 7.095253 0.962435 1.841007
H 7.005895 0.636144 0.101415
H 7.341918 -0.679526 1.228825
H 4.964289 -2.697711 2.157374
H 5.045911 -4.108892 1.101452
H 3.570161 -3.144187 1.172113
H -3.115560 5.482349 1.429629


%chk=000131261-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131261

0 1
S -6.558553 -5.041388 2.134833
O 1.626750 0.945811 -0.949927
O 0.840916 0.178516 1.098303
N 5.052914 -0.291293 0.085685
N -4.636908 -3.157677 1.233291
C -0.779621 0.657110 -0.746640
C -1.784218 -0.333992 -0.115041
C -1.188206 2.132547 -0.466269
C -0.698974 0.331233 -2.265615
C 0.619787 0.528731 -0.084943
C 3.728569 -0.352865 -0.569573
C 3.011436 0.999698 -0.384145
C -1.389312 -1.638629 0.279982
C -3.162036 -0.005239 -0.050884
C -1.424594 3.066623 -1.502782
C -1.324405 2.561642 0.881718
C 5.010911 -0.672064 1.521679
C 6.168989 -0.864790 -0.705178
C -2.329715 -2.581953 0.731656
C -4.118980 -0.935738 0.395630
C -1.794402 4.398743 -1.202222
C -1.689407 3.889729 1.182541
C -3.706977 -2.236080 0.791802
C 6.228802 -0.172110 2.320011
C 6.159715 -2.408037 -0.883186
C -1.928037 4.816580 0.139993
C -5.454225 -3.957051 1.617590
H -1.692136 0.457142 -2.731465
H 0.033830 0.972853 -2.779003
H -0.392946 -0.719180 -2.408808
H 3.083160 -1.165372 -0.163698
H 3.856236 -0.547762 -1.650125
H 3.512787 1.796475 -0.953146
H 2.948211 1.268925 0.683910
H -0.332762 -1.921293 0.257683
H -3.494307 0.995029 -0.347021
H -1.322670 2.768595 -2.550277
H -1.138522 1.848420 1.693192
H 4.905484 -1.777554 1.655631
H 4.095472 -0.225757 1.952782
H 7.120079 -0.556874 -0.232975
H 6.151095 -0.382636 -1.701382
H -2.014287 -3.582500 1.043144
H -5.179421 -0.669480 0.442382
H -1.975982 5.107262 -2.018315
H -1.787367 4.202013 2.228219
H 6.090557 -0.386027 3.395718
H 6.349638 0.917921 2.190399
H 7.166216 -0.663687 2.002842
H 6.245477 -2.930046 0.086813
H 7.011979 -2.725468 -1.512517
H 5.229919 -2.749920 -1.374690
H -2.212463 5.848963 0.371999


