%chk=000241121.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241121

0 1
S 0.165897 1.978419 0.929383
O -1.447382 -2.523947 -0.268755
N 1.773458 -0.112041 0.435022
N -0.577316 -0.441153 0.148787
C 0.895858 -2.437435 0.378174
C 2.010481 -1.486160 -0.086588
C 2.980621 0.704244 0.740204
C 3.800387 1.052562 -0.528269
C -0.480765 -1.867696 0.033563
C 0.510156 0.410985 0.475608
C 1.066186 -3.817536 -0.246583
C 3.026298 1.994727 -1.450394
C 5.127797 1.683607 -0.091258
C -1.892214 0.192164 -0.010679
C -2.780372 0.212731 1.073840
C -2.237728 0.729257 -1.258776
C -4.040753 0.789375 0.895526
C -3.503223 1.301602 -1.413691
C -4.402615 1.331222 -0.342549
H 0.929435 -2.535098 1.498155
H 2.997480 -1.856956 0.269840
H 2.061291 -1.456426 -1.201125
H 3.604534 0.132313 1.462664
H 2.681670 1.645839 1.266216
H 4.026007 0.111934 -1.088381
H 1.108984 -3.776604 -1.342656
H 1.973931 -4.316572 0.109780
H 0.210175 -4.466755 0.001986
H 2.736391 2.921187 -0.935520
H 3.618582 2.278758 -2.326048
H 2.096784 1.539371 -1.810694
H 4.970375 2.614689 0.467183
H 5.745722 1.937523 -0.960968
H 5.716433 1.011839 0.541227
H -2.490784 -0.200843 2.037591
H -1.533482 0.709769 -2.087188
H -4.742115 0.818318 1.728306
H -3.787401 1.727742 -2.374760
H -5.385781 1.779647 -0.471877


%chk=000241121-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241121

0 1
S 0.246626 2.048964 1.134593
O -1.508580 -2.529510 -0.067335
N 1.790426 -0.098903 0.402115
N -0.559267 -0.403889 0.206656
C 0.905336 -2.414761 0.397062
C 1.953510 -1.449344 -0.179252
C 3.028869 0.650150 0.714336
C 3.855260 1.040941 -0.542783
C -0.488644 -1.826941 0.153208
C 0.537771 0.455534 0.560112
C 1.026533 -3.833758 -0.188455
C 3.035655 1.917575 -1.516390
C 5.146170 1.759034 -0.084547
C -1.879660 0.198516 0.016128
C -2.856022 0.089683 1.027284
C -2.167734 0.849463 -1.201406
C -4.133491 0.652764 0.821143
C -3.445830 1.414827 -1.401802
C -4.430107 1.318727 -0.390910
H 1.047530 -2.458915 1.497808
H 2.970395 -1.804320 0.060957
H 1.865088 -1.411664 -1.285779
H 3.649713 0.021963 1.385563
H 2.729459 1.560443 1.262366
H 4.153228 0.111074 -1.074155
H 0.973180 -3.812263 -1.292059
H 1.984743 -4.296369 0.108720
H 0.197973 -4.465479 0.169046
H 2.726990 2.859652 -1.028589
H 3.632699 2.166835 -2.412970
H 2.114898 1.404369 -1.848837
H 4.903273 2.701412 0.441943
H 5.781733 2.012903 -0.952083
H 5.744290 1.129434 0.601444
H -2.615270 -0.424157 1.963054
H -1.395713 0.920952 -1.974705
H -4.894307 0.574366 1.605267
H -3.672007 1.927518 -2.343080
H -5.421716 1.757776 -0.547374


