%chk=000270096.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000270096

0 1
S 4.761338 0.211489 -0.165524
O -3.346111 0.400853 -0.039464
O -1.942137 -1.099823 -1.052356
O 5.100804 -0.384023 -1.447585
O 5.330083 1.500578 0.200161
N -1.151239 0.713701 0.236420
C -4.537021 -0.340952 -0.525369
C -5.628198 0.735039 -0.574917
C -4.923847 -1.383305 0.529900
C -6.717442 0.308438 0.424567
C -6.413398 -1.147868 0.826755
C -2.115612 -0.116268 -0.368803
C 3.035494 0.335682 -0.054430
C 0.256483 0.558439 0.105116
C 5.158175 -0.951820 1.109133
C 2.458433 1.361973 0.700860
C 2.217442 -0.556251 -0.756117
C 1.074449 1.481401 0.796593
C 0.830241 -0.462500 -0.675750
C 6.662846 -1.165187 1.142852
H -4.280007 -0.775902 -1.510819
H -6.032345 0.836257 -1.596581
H -5.205233 1.724504 -0.311318
H -4.312653 -1.243769 1.442269
H -4.727271 -2.411368 0.182624
H -6.703038 0.964933 1.312857
H -7.724389 0.401001 -0.014326
H -7.039351 -1.849548 0.246946
H -6.646334 -1.329610 1.888802
H -1.498443 1.504887 0.791040
H 4.806540 -0.606280 2.101054
H 4.646279 -1.921465 0.951133
H 3.100231 2.088234 1.216417
H 2.667023 -1.333473 -1.386583
H 0.639393 2.282812 1.388163
H 0.196165 -1.169138 -1.223265
H 6.945784 -1.882861 1.923605
H 7.042409 -1.561043 0.188068
H 7.205258 -0.230166 1.351873


%chk=000270096-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000270096

0 1
S 4.803903 0.188558 -0.092135
O -3.487990 0.459964 -0.227994
O -2.068458 -1.089391 -1.296543
O 5.220764 -0.582308 -1.477946
O 5.399612 1.667369 0.296555
N -1.262823 0.700056 0.039750
C -4.691093 -0.260471 -0.785555
C -5.872277 0.702305 -0.587630
C -5.022374 -1.511640 0.073166
C -6.308054 0.454386 0.877806
C -6.180424 -1.087981 1.037152
C -2.243927 -0.081612 -0.567782
C 2.921403 0.306460 -0.038380
C 0.140424 0.532142 -0.020867
C 5.282822 -1.004646 1.375338
C 2.343132 1.365463 0.681727
C 2.163862 -0.620549 -0.772527
C 0.940306 1.472047 0.690177
C 0.758241 -0.514167 -0.762869
C 6.801107 -1.148495 1.390824
H -4.458305 -0.504198 -1.835652
H -6.683328 0.407055 -1.281718
H -5.596144 1.746943 -0.808624
H -4.122807 -1.847436 0.616341
H -5.323194 -2.348078 -0.582359
H -5.610415 0.971416 1.562513
H -7.326606 0.823175 1.090253
H -7.125107 -1.576084 0.732916
H -5.982189 -1.383119 2.082077
H -1.622774 1.486273 0.585566
H 4.865062 -0.506115 2.264632
H 4.741251 -1.936134 1.145069
H 2.977662 2.098438 1.190967
H 2.664360 -1.393152 -1.366131
H 0.462596 2.290660 1.241884
H 0.138050 -1.216971 -1.322166
H 7.098624 -1.822977 2.214875
H 7.166758 -1.578136 0.442342
H 7.289153 -0.171450 1.548949


