%chk=000280946.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280946

0 1
S 4.029264 0.226340 -0.051699
O 4.708176 -0.981199 -0.485351
O 4.322066 1.506449 -0.666549
O -2.667283 1.368649 -0.006084
N -1.819232 -0.777191 0.006678
N 4.449366 0.412389 1.609165
C 2.335868 -0.042782 -0.037361
C -0.429209 -0.484218 -0.010850
C 1.834731 -1.350648 -0.005603
C 1.447086 1.040303 -0.065002
C 0.463908 -1.583933 0.008407
C 0.071517 0.831829 -0.050035
C -2.883559 0.172268 0.004734
C -4.230266 -0.441311 0.018102
C -5.320713 0.341941 0.010541
C -6.711175 -0.175636 0.021495
H 2.528078 -2.201075 -0.001343
H 1.834658 2.065714 -0.108757
H 0.091529 -2.604524 0.031368
H -0.616274 1.685926 -0.071047
H -2.063872 -1.771175 0.020420
H 5.030541 -0.304026 2.037414
H 4.767330 1.326827 1.921394
H -4.298966 -1.526673 0.033048
H -5.223664 1.437754 -0.005036
H -7.266836 0.163299 -0.868283
H -7.265548 0.195575 0.898969
H -6.775323 -1.272672 0.041366


%chk=000280946-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000280946

0 1
S 4.150919 0.206063 -0.033653
O 4.828559 -1.188185 -0.540880
O 4.451153 1.654970 -0.716415
O -2.767753 1.476911 -0.032736
N -1.855829 -0.693270 0.015600
N 4.602844 0.369200 1.747812
C 2.296398 -0.044455 -0.003558
C -0.466751 -0.425078 0.007335
C 1.807633 -1.360920 0.033130
C 1.461408 1.082802 -0.046391
C 0.414354 -1.544745 0.036963
C 0.065067 0.895753 -0.041021
C -2.929530 0.218719 -0.005032
C -4.265943 -0.442435 0.008157
C -5.409374 0.296991 -0.009743
C -6.809080 -0.252469 -0.000890
H 2.498304 -2.209729 0.032770
H 1.891432 2.087576 -0.106896
H 0.006928 -2.562925 0.060578
H -0.619206 1.744658 -0.074777
H -2.112776 -1.683158 0.039256
H 5.268030 -0.389886 1.972811
H 5.002337 1.312729 1.886956
H -4.314027 -1.540625 0.031185
H -5.288563 1.390694 -0.033214
H -7.365982 0.087563 -0.895809
H -7.370532 0.126871 0.875172
H -6.827822 -1.355420 0.023390


