%chk=000291972.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291972

0 1
S -4.506578 -0.230151 -0.559496
S 4.502831 0.246770 0.529963
N -0.589402 0.371679 0.202570
N 0.585616 -0.355094 -0.231961
N -2.082490 -2.699545 0.387299
N 2.078842 2.715977 -0.417273
C -1.852392 -0.199934 -0.415938
C 1.848616 0.216546 0.386500
C -3.048724 0.640292 0.172836
C 3.044926 -0.623862 -0.202046
C -1.819320 -0.193337 -1.950775
C 1.815467 0.210281 1.921335
C -3.108811 0.554201 1.688325
C -3.048131 2.080357 -0.309727
C 3.105009 -0.538179 -1.717559
C 3.044303 -2.063792 0.280908
C -1.991728 -1.602390 0.040491
C 1.988028 1.618900 -0.070232
C -5.950373 0.359715 0.397259
C 5.946576 -0.343693 -0.426502
C -7.169311 -0.155647 -0.337089
C 7.165609 0.171138 0.308053
H -0.490730 1.349214 -0.143611
H 0.486962 -1.332626 0.114225
H -1.888464 0.823530 -2.357167
H -0.884537 -0.629555 -2.332460
H -2.641506 -0.772848 -2.395312
H 1.884045 -0.806540 2.327931
H 2.637923 0.789463 2.365796
H 0.880883 0.647039 2.302890
H -3.302318 -0.466769 2.047606
H -2.152733 0.860829 2.142734
H -3.880179 1.205706 2.113811
H -2.212634 2.655615 0.112512
H -3.964392 2.609744 -0.014700
H -2.984893 2.157397 -1.404956
H 2.148950 -0.844958 -2.171900
H 3.876404 -1.189761 -2.142877
H 3.298485 0.482705 -2.077110
H 3.960453 -2.593345 -0.014170
H 2.208667 -2.639091 -0.141000
H 2.981292 -2.140534 1.376168
H -5.900569 -0.035821 1.428636
H -5.943867 1.462620 0.455460
H 5.939630 -1.446593 -0.484746
H 5.897094 0.051901 -1.457878
H -7.232460 0.230800 -1.364322
H -7.181500 -1.253553 -0.404204
H -8.093084 0.143116 0.177405
H 7.178328 1.269044 0.375060
H 7.228340 -0.215227 1.335344
H 8.089347 -0.128137 -0.206206


%chk=000291972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291972

0 1
S -4.635249 -0.249523 -0.719210
S 4.631181 0.264746 0.691196
N -0.616533 0.416294 0.150351
N 0.612756 -0.399369 -0.180660
N -1.837729 -2.763666 0.575280
N 1.834199 2.779901 -0.606958
C -1.851004 -0.269490 -0.411071
C 1.847207 0.286326 0.380923
C -3.094983 0.546827 0.151529
C 3.091192 -0.530281 -0.181238
C -1.803579 -0.378700 -1.965235
C 1.799434 0.395797 1.935055
C -3.201369 0.388681 1.682595
C -3.013370 2.039838 -0.236985
C 3.198833 -0.371218 -1.712121
C 3.008522 -2.023494 0.206274
C -1.875736 -1.650528 0.148387
C 1.872310 1.667275 -0.178741
C -6.063974 0.373411 0.363227
C 6.060402 -0.357955 -0.390718
C -7.385379 -0.002046 -0.326219
C 7.381481 0.016383 0.299961
H -0.495895 1.290416 -0.396734
H 0.492052 -1.273519 0.366368
H -1.897697 0.622653 -2.419511
H -0.830166 -0.808217 -2.255521
H -2.612895 -1.015903 -2.357185
H 1.893192 -0.605504 2.389515
H 2.608817 1.032861 2.327095
H 0.826059 0.825606 2.225035
H -3.429392 -0.652047 1.968881
H -2.238325 0.677977 2.140419
H -3.988853 1.045449 2.090142
H -2.190013 2.546799 0.301955
H -3.949829 2.548880 0.050584
H -2.884157 2.185155 -1.322405
H 2.236001 -0.659744 -2.170873
H 3.986311 -1.028111 -2.119478
H 3.427588 0.669582 -1.997567
H 3.944923 -2.532844 -0.080941
H 2.185291 -2.529686 -0.333583
H 2.878445 -2.169437 1.291505
H -5.984261 -0.098121 1.356110
H -5.971742 1.468642 0.469988
H 5.967771 -1.453061 -0.498414
H 5.981599 0.114399 -1.383283
H -7.467995 0.473083 -1.319464
H -7.470820 -1.095230 -0.459175
H -8.240083 0.333837 0.289728
H 7.467301 1.109424 0.433842
H 7.463186 -0.459567 1.292889
H 8.236475 -0.319385 -0.315646


