%chk=000086429.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000086429

0 1
S 3.319684 0.513237 -0.879007
F -4.036613 -4.067911 0.827822
F 4.776381 -0.503363 2.434196
F 5.494282 0.843014 0.960218
F 4.342761 1.568290 2.588343
O 1.001412 0.075431 -2.095498
O -0.732139 2.226265 -1.820271
N -2.320801 0.930018 -0.819861
N 1.072821 -0.041834 0.329907
N 1.977072 0.086588 1.302228
C -3.002035 2.141336 -0.225130
C -2.757411 -0.381164 -0.386022
C -2.751463 2.204177 1.281891
C -4.494831 2.116647 -0.554799
C -1.148735 1.112943 -1.556410
C -0.451406 -0.143925 -2.089769
C -2.137290 -1.001485 0.715239
C -3.805749 -1.011986 -1.077807
C -2.569040 -2.259793 1.132660
C -4.247484 -2.271108 -0.666567
C -3.618442 -2.864905 0.431889
C 1.593847 0.145900 -0.909462
C 3.203939 0.368890 0.873732
C 4.412728 0.561844 1.708157
H -2.528453 3.040626 -0.717254
H -3.156141 3.130368 1.706679
H -3.215536 1.369434 1.820018
H -1.677407 2.184971 1.512505
H -4.669952 2.044532 -1.634546
H -4.979285 3.037700 -0.207034
H -5.015630 1.279132 -0.075288
H -0.667481 -1.076307 -1.537979
H -0.641342 -0.273411 -3.175041
H -1.309687 -0.502267 1.234678
H -4.275603 -0.518761 -1.929583
H -2.096846 -2.753203 1.983513
H -5.061626 -2.772219 -1.189747


%chk=000086429-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086429

0 1
S 3.457487 0.528532 -1.026215
F -4.196805 -4.185500 0.795248
F 4.724228 -0.488546 2.505657
F 5.630316 0.929682 0.977626
F 4.254204 1.721619 2.605226
O 1.018841 0.012636 -2.166423
O -0.601485 2.230293 -1.684295
N -2.300017 0.901673 -0.768150
N 1.132937 -0.002756 0.225403
N 2.071020 0.170817 1.244679
C -2.984908 2.123791 -0.204971
C -2.776842 -0.412538 -0.380040
C -2.727598 2.242983 1.314043
C -4.486953 2.146311 -0.547466
C -1.113639 1.092550 -1.469269
C -0.457569 -0.177425 -2.058595
C -2.203363 -1.068285 0.740743
C -3.826099 -1.032653 -1.102962
C -2.674090 -2.337454 1.138418
C -4.309562 -2.301038 -0.713475
C -3.720638 -2.921382 0.402327
C 1.676074 0.145072 -0.994217
C 3.289423 0.439824 0.791839
C 4.453080 0.648040 1.713104
H -2.480522 2.964627 -0.713339
H -3.150425 3.193043 1.687526
H -3.204508 1.417428 1.873006
H -1.645282 2.240466 1.530832
H -4.651041 2.082489 -1.637988
H -4.923511 3.097317 -0.193228
H -5.034198 1.321515 -0.056714
H -0.653565 -1.083528 -1.465738
H -0.769049 -0.320593 -3.104867
H -1.371622 -0.594202 1.270694
H -4.258179 -0.522197 -1.969156
H -2.242294 -2.864964 1.993501
H -5.117347 -2.799949 -1.256164


