%chk=000207238.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207238

0 1
S 4.008714 0.200942 -1.129798
F 5.507354 1.894736 0.148438
F 4.619392 0.459839 1.440724
F 3.456122 2.062144 0.678337
O -3.008490 -3.993029 0.500710
N -1.198093 -0.485950 -0.781497
N -2.444347 4.142427 0.442366
C -1.942811 -1.564694 -0.278300
C -1.077638 -2.564653 0.167554
C 0.172938 -0.787678 -0.609663
C 0.264278 -2.106910 -0.025244
C -1.735544 0.792819 -1.279106
C -3.422657 -1.678738 -0.241389
C -1.583137 -3.840006 0.732735
C -1.873973 1.818595 -0.144234
C -3.793491 -2.812603 0.738766
C 1.320287 -0.040867 -0.923852
C 1.532111 -2.662515 0.230788
C -2.475280 3.133772 -0.667918
C 2.541342 -0.638623 -0.653884
C 2.663043 -1.927060 -0.082244
C -3.579737 3.937336 1.389701
C -2.474850 5.530310 -0.107825
C 4.398777 1.180841 0.341210
H -1.058308 1.181471 -2.075682
H -2.719940 0.606625 -1.766096
H -3.912462 -0.733737 0.061335
H -3.803572 -1.922489 -1.257851
H -1.177274 -4.733013 0.218098
H -1.405473 -3.910101 1.822373
H -2.491666 1.409111 0.678281
H -0.884489 2.022745 0.320250
H -3.666563 -2.492395 1.787305
H -4.820082 -3.184766 0.569969
H 1.243226 0.957367 -1.351866
H 1.608485 -3.654904 0.669942
H -3.493468 2.961493 -1.075711
H -1.856145 3.511910 -1.511361
H 3.655034 -2.338250 0.112835
H -3.517881 2.923056 1.815146
H -4.580044 4.072377 0.954023
H -3.470919 4.642647 2.230338
H -3.363736 5.776600 -0.705642
H -1.577509 5.690433 -0.727555
H -2.412826 6.246485 0.728393


%chk=000207238-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000207238

0 1
S 4.055006 0.318833 -1.059097
F 5.386471 2.141375 0.379080
F 4.420525 0.541607 1.672441
F 3.148077 2.173821 0.774654
O -3.060042 -4.142107 0.283312
N -1.224776 -0.526362 -0.736844
N -2.320020 4.279759 0.298323
C -1.970516 -1.633879 -0.291930
C -1.109089 -2.647985 0.128381
C 0.136717 -0.827205 -0.581750
C 0.240119 -2.164628 -0.040672
C -1.767109 0.756656 -1.208975
C -3.469602 -1.737486 -0.276752
C -1.630408 -3.974412 0.620840
C -1.836946 1.836992 -0.102598
C -3.847804 -2.946942 0.619727
C 1.272107 -0.048651 -0.880140
C 1.527224 -2.714391 0.198409
C -2.448583 3.146485 -0.644020
C 2.530486 -0.629349 -0.620646
C 2.669259 -1.944799 -0.092252
C -3.077269 4.092614 1.552201
C -2.635906 5.571138 -0.346569
C 4.247955 1.321992 0.507079
H -1.139064 1.115493 -2.046700
H -2.775582 0.572825 -1.623319
H -3.948461 -0.822320 0.126103
H -3.864398 -1.892882 -1.300654
H -1.125773 -4.826864 0.132604
H -1.500153 -4.078531 1.721779
H -2.432905 1.442570 0.741753
H -0.823706 2.052742 0.283490
H -3.697198 -2.681716 1.689082
H -4.897309 -3.243982 0.463136
H 1.201455 0.964684 -1.285430
H 1.639467 -3.724214 0.607006
H -3.520563 2.962477 -0.932615
H -1.914077 3.430093 -1.572935
H 3.671056 -2.344699 0.089176
H -2.715306 3.202223 2.093280
H -4.180650 3.979211 1.387940
H -2.918534 4.966892 2.207739
H -3.701647 5.654489 -0.682089
H -1.986988 5.715366 -1.228863
H -2.436844 6.396167 0.360213


