%chk=000194678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194678

0 1
S -1.370821 -0.098746 0.026793
O -3.050687 -0.146822 0.375776
O -1.309040 -0.147484 -1.410398
O -0.827727 -1.169898 0.826882
N 0.963430 0.894376 0.066437
N 2.997835 -0.294383 0.156436
C -1.213851 1.522928 0.707416
C 0.140163 2.096502 0.281337
C 2.268994 0.917847 0.108991
C 2.246961 -1.558956 -0.051586
C 4.306893 -0.260049 -0.549250
C -3.726855 -1.360713 0.046810
H -2.051848 2.173909 0.386101
H -1.298946 1.488231 1.813432
H 0.042232 2.673511 -0.668390
H 0.533393 2.796702 1.047869
H 2.899767 1.819966 0.209111
H 2.876475 -2.413055 0.233832
H 1.885013 -1.694509 -1.082779
H 1.343982 -1.569738 0.605438
H 4.873062 0.644039 -0.275547
H 4.214633 -0.300150 -1.646840
H 4.906877 -1.129076 -0.225701
H -3.686491 -1.531426 -1.036221
H -4.762484 -1.190699 0.367255
H -3.288756 -2.199709 0.602298


%chk=000194678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000194678

0 1
S -1.776514 -0.174892 -0.260305
O -3.448505 0.060320 0.604992
O -1.950346 0.117693 -1.840734
O -1.206448 -1.605087 0.247621
N 1.049349 0.746976 -0.361586
N 3.178145 -0.236527 -0.115459
C -1.057329 1.389368 0.646306
C 0.139280 1.874310 -0.169324
C 2.313708 0.836256 -0.035162
C 2.691366 -1.550764 -0.566119
C 4.617918 -0.074890 0.104802
C -4.277569 -1.155270 0.570488
H -1.921594 2.070534 0.674075
H -0.800087 0.994452 1.640348
H -0.220455 2.231743 -1.154480
H 0.576923 2.751240 0.369979
H 2.792157 1.763802 0.343222
H 3.141736 -2.347299 0.054814
H 2.952781 -1.736368 -1.627202
H 1.594552 -1.576115 -0.467077
H 4.833206 0.939873 0.482048
H 5.192272 -0.223162 -0.832585
H 4.984618 -0.807052 0.850107
H -4.737579 -1.302709 -0.423803
H -5.062572 -0.977003 1.325471
H -3.686810 -2.046831 0.855067


