%chk=000248006.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248006

0 1
S 5.022912 -0.151173 -0.426903
O 2.885067 -2.380788 -0.991972
O 3.499122 3.159796 0.153827
N 2.438040 -1.867002 1.224012
N 2.280319 1.214971 -0.206143
N 1.090424 -1.857113 0.975984
N 1.118784 1.904252 -0.439307
N -3.994498 -3.709169 -1.821549
N -5.803840 0.867750 -0.009474
C 4.760928 -1.757252 0.408914
C 4.515728 1.071325 0.823398
C 5.684185 -2.757572 -0.255638
C 5.729613 1.897120 1.197409
C 3.304161 -2.071601 0.092110
C 3.424909 1.958019 0.207095
C -1.200964 -1.776594 1.626474
C -1.203939 1.974954 -0.987217
C 0.239403 -1.811048 1.962759
C 0.063043 1.234803 -0.815410
C -1.697248 -2.461004 0.507250
C -2.401239 1.343693 -0.616420
C -2.079391 -1.056581 2.455744
C -1.230090 3.281688 -1.503435
C -3.073348 -2.425494 0.231029
C -3.615222 2.031703 -0.761363
C -3.445138 -1.023324 2.166327
C -2.447529 3.951051 -1.654599
C -3.952340 -1.708058 1.058160
C -3.645586 3.334589 -1.285825
C -3.583774 -3.134661 -0.906452
C -4.831973 1.392282 -0.353240
H 4.986331 -1.687898 1.495706
H 4.094495 0.575165 1.730428
H 5.591220 -3.755193 0.197148
H 6.740082 -2.460313 -0.176080
H 5.460774 -2.880061 -1.330398
H 6.508991 1.296503 1.681094
H 5.456296 2.714903 1.884697
H 6.185322 2.388792 0.322721
H 2.810204 -1.848307 2.178786
H 2.343357 0.208652 -0.420855
H 0.471732 -1.791279 3.036577
H 0.006109 0.149156 -1.002636
H -1.016456 -3.016498 -0.145105
H -2.390259 0.330064 -0.210159
H -1.697269 -0.516951 3.322365
H -0.292080 3.773056 -1.776926
H -4.125403 -0.459444 2.807802
H -2.461351 4.963563 -2.059835
H -5.023367 -1.680344 0.835811
H -4.594749 3.857773 -1.401286


%chk=000248006-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248006

0 1
S 4.883544 -0.750983 -0.693876
O 3.058121 -3.707545 0.074806
O 2.909058 0.791289 1.663235
N 2.217284 -1.882159 1.309367
N 2.576598 1.867887 -0.388097
N 0.901651 -2.297063 1.266962
N 1.198533 1.923343 -0.239838
N -4.216704 -5.482782 0.085098
N -4.295095 5.041997 -3.800333
C 4.614550 -1.947693 0.811210
C 4.818663 0.975065 0.158744
C 5.741079 -2.987389 0.825146
C 5.483739 1.985704 -0.791632
C 3.229378 -2.618028 0.677552
C 3.365585 1.223169 0.558480
C -1.406161 -1.840882 1.851568
C -0.941073 2.620223 -1.136935
C 0.020536 -1.494243 1.833119
C 0.526418 2.569592 -1.169425
C -1.898523 -3.015032 1.219327
C -1.623428 3.440476 -2.069807
C -2.321000 -0.976955 2.516239
C -1.693824 1.847575 -0.206053
C -3.281778 -3.312305 1.256244
C -3.041522 3.499451 -2.068194
C -3.699764 -1.278669 2.554546
C -3.100010 1.901477 -0.211856
C -4.190404 -2.441347 1.927429
C -3.783293 2.724775 -1.134612
C -3.786042 -4.501100 0.614752
C -3.727049 4.341350 -3.015283
H 4.651418 -1.288829 1.696779
H 5.395840 0.886317 1.092970
H 5.631608 -3.645639 1.707056
H 6.727863 -2.497071 0.864075
H 5.685297 -3.627587 -0.070637
H 6.552869 1.740141 -0.902381
H 5.406735 3.012240 -0.388087
H 5.047946 1.968453 -1.809167
H 2.455398 -0.945816 1.700930
H 3.024808 2.218357 -1.247595
H 0.310785 -0.538648 2.310937
H 1.025055 3.087570 -2.013991
H -1.192627 -3.677295 0.709085
H -1.062050 4.036401 -2.798475
H -1.944408 -0.075473 3.016280
H -1.157695 1.201841 0.495308
H -4.391344 -0.613126 3.081908
H -3.668661 1.289018 0.495247
H -5.256718 -2.685955 1.952222
H -4.876686 2.766802 -1.144949


