%chk=000178625.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178625

0 1
S 3.148457 0.726270 -0.692989
P 1.459125 -0.094863 0.331406
O 0.194495 0.793971 -0.326109
O 1.539614 -0.040238 1.811317
O 4.018811 -0.483610 -0.487464
N 1.123732 -1.552413 -0.569314
C -0.364399 -1.600660 -0.732267
C -0.776012 -0.100429 -0.955279
C -1.120940 -2.276565 0.409411
C -2.141299 0.250849 -0.419067
C 1.824788 -2.777723 -0.119540
C 3.625362 2.036371 0.499218
C -3.272210 -0.082467 -1.182032
C -2.294296 0.904359 0.809769
C 5.007164 2.513464 0.109691
C -4.547850 0.231623 -0.708635
C -3.574729 1.218847 1.276515
C -4.701318 0.881869 0.521250
H -0.566115 -2.167377 -1.681861
H -0.701273 0.163377 -2.040522
H -0.771941 -3.303134 0.572122
H -1.022014 -1.747283 1.367896
H -2.197183 -2.330551 0.197023
H 1.612838 -3.097787 0.914053
H 2.923455 -2.605931 -0.220162
H 1.572616 -3.612075 -0.796377
H 2.880744 2.852373 0.439115
H 3.622358 1.678189 1.550753
H -3.160455 -0.582997 -2.141590
H -1.413695 1.177098 1.395997
H 5.742969 1.692824 0.135527
H 5.037624 2.948619 -0.897385
H 5.369516 3.283341 0.805565
H -5.424879 -0.027423 -1.299512
H -3.690617 1.728520 2.232268
H -5.696844 1.126763 0.887013


%chk=000178625-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178625

0 1
S 2.475955 1.961511 -0.639426
P 1.334472 0.625170 1.290553
O -0.390063 0.986080 1.135422
O 2.018904 0.730931 2.732682
O 2.414325 0.708630 -1.750088
N 1.155699 -0.919499 0.516297
C -0.188495 -1.151562 -0.076448
C -0.850947 0.278724 -0.103254
C -0.972949 -2.202914 0.732849
C -2.364031 0.295321 -0.147169
C 2.243303 -1.880056 0.308369
C 4.280653 1.869868 0.173937
C -3.017404 0.054497 -1.381916
C -3.134913 0.526052 1.016650
C 5.209713 1.105361 -0.764984
C -4.427867 0.024269 -1.448130
C -4.546035 0.502192 0.947309
C -5.196919 0.246276 -0.281688
H -0.063096 -1.485170 -1.125355
H -0.432493 0.817431 -0.977859
H -0.397744 -3.142989 0.804066
H -1.174618 -1.839720 1.755390
H -1.938025 -2.428069 0.246180
H 1.962190 -2.873548 0.706907
H 3.143719 -1.548747 0.854579
H 2.494522 -1.966742 -0.764337
H 4.547030 2.930277 0.313787
H 4.145155 1.390721 1.158256
H -2.426580 -0.100523 -2.293756
H -2.621506 0.742197 1.958130
H 4.710691 0.195058 -1.146332
H 5.498798 1.711328 -1.640146
H 6.127054 0.806466 -0.225785
H -4.924705 -0.161292 -2.406911
H -5.136899 0.688123 1.851191
H -6.291296 0.229548 -0.333167


