%chk=000238384.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000238384

0 1
Cl 4.695769 2.716044 -0.430415
S 0.706543 -2.714669 0.226650
S 3.411938 -1.354376 0.373674
N -1.183074 1.940008 -0.058448
N 1.005436 -0.102420 0.152915
N -2.743593 0.158766 -0.129054
N -1.995525 -2.209788 -0.004281
N -4.272599 -1.627940 -0.270119
C -0.371874 -0.363638 0.060605
C -1.434805 0.598070 -0.044284
C -0.745318 -1.738362 0.077152
C -2.272598 2.948487 -0.168839
C 1.686374 -1.211181 0.246293
C -2.969174 -1.206674 -0.122235
C -1.685424 4.352538 -0.180472
C 3.988830 0.349108 0.623567
C 3.998886 1.076022 -0.700333
H -0.219812 2.266557 0.012265
H -2.860507 2.749615 -1.097283
H -2.981145 2.814832 0.683624
H -1.129201 4.580242 0.738236
H -1.006903 4.513972 -1.028459
H -2.483637 5.102768 -0.264049
H 5.005176 0.275465 1.067541
H 3.358649 0.876243 1.371894
H 4.625026 0.578073 -1.465698
H 2.978609 1.219244 -1.113605
H -5.023939 -0.957121 -0.252727
H -4.497409 -2.605686 -0.165618


%chk=000238384-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000238384

0 1
Cl 4.264848 2.909549 -0.747129
S 0.715002 -2.824484 0.305169
S 3.478169 -1.359300 0.577489
N -1.150799 1.894314 -0.037125
N 0.989502 -0.137601 0.252315
N -2.730094 0.138646 -0.161444
N -2.033351 -2.223089 -0.011712
N -4.277997 -1.612155 -0.276879
C -0.379319 -0.407897 0.113882
C -1.434909 0.556366 -0.030785
C -0.771492 -1.768777 0.112410
C -2.173877 2.943345 -0.186164
C 1.686184 -1.250908 0.363224
C -2.967382 -1.216045 -0.145027
C -1.532960 4.334897 -0.060145
C 3.877448 0.501210 0.599447
C 3.889737 1.046577 -0.822155
H -0.167791 2.158331 0.056754
H -2.676909 2.831226 -1.166368
H -2.954936 2.798196 0.583784
H -1.059789 4.470439 0.929700
H -0.765028 4.497135 -0.839192
H -2.301499 5.118011 -0.177626
H 4.862067 0.573354 1.087960
H 3.107100 0.988665 1.215262
H 4.684198 0.611716 -1.444365
H 2.906092 0.963140 -1.303214
H -5.001162 -0.906160 -0.378580
H -4.496354 -2.604501 -0.270988


