%chk=000201495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201495

0 1
S 2.516106 0.888514 1.744484
S 4.302573 2.099038 -0.954612
P 3.348346 0.668923 -0.151585
O 2.009068 0.086179 -0.949852
O 4.122852 -0.754510 0.141524
O -0.256815 -0.934327 3.161558
O -6.076848 0.836995 -1.211629
O -6.581223 0.082126 0.750835
N -0.248059 -0.356772 0.925231
N -5.776058 0.387390 -0.115178
C 1.878501 -0.775700 2.099792
C -1.640341 -0.168256 0.725924
C 0.369763 -0.697927 2.150789
C 1.745182 0.479716 -2.327004
C 5.157482 -1.193725 -0.800156
C -2.604766 -0.496970 1.701463
C -2.043907 0.363686 -0.525161
C -4.349435 0.201072 0.176997
C -3.953111 -0.312977 1.425820
C -3.391838 0.543364 -0.796091
C 0.861517 1.709149 -2.344669
C 5.651793 -2.483304 -0.175338
H 2.269955 -1.077593 3.101895
H 2.239982 -1.568778 1.407799
H 0.355240 -0.168337 0.100700
H 2.681168 0.620201 -2.897976
H 1.218114 -0.422733 -2.703159
H 4.697741 -1.357990 -1.791372
H 5.954079 -0.425926 -0.855751
H -2.292735 -0.892208 2.677240
H -1.294419 0.646996 -1.271868
H -4.716262 -0.565821 2.172435
H -3.724036 0.951154 -1.758068
H -0.037034 1.577195 -1.718264
H 1.378534 2.609880 -1.980958
H 0.521557 1.936742 -3.364294
H 5.999783 -2.315961 0.854831
H 4.855468 -3.237387 -0.119276
H 6.485481 -2.910518 -0.745957


%chk=000201495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201495

0 1
S 3.000591 1.577488 1.633313
S 4.905471 1.703663 -1.559944
P 3.525437 0.703476 -0.407399
O 1.960878 0.410935 -1.179863
O 3.813949 -0.930680 0.084685
O -0.049003 0.048726 3.451713
O -5.521685 -0.716016 -1.863587
O -6.255581 -0.481950 0.285598
N 0.107112 -0.070714 1.104652
N -5.312638 -0.548996 -0.596755
C 2.166912 0.072007 2.467047
C -1.255740 -0.189120 0.745629
C 0.639595 0.034974 2.389081
C 1.511211 1.332533 -2.272766
C 4.283800 -1.912469 -0.948462
C -2.325315 -0.120889 1.685926
C -1.546381 -0.387300 -0.637432
C -3.917132 -0.427186 -0.135059
C -3.652599 -0.239412 1.239771
C -2.869894 -0.505996 -1.081791
C 0.850134 2.597431 -1.723754
C 4.502723 -3.227676 -0.209758
H 2.452759 0.155985 3.526281
H 2.631470 -0.826254 2.027049
H 0.770288 -0.025345 0.309545
H 2.387774 1.568701 -2.905405
H 0.806071 0.713025 -2.852580
H 3.506169 -1.996704 -1.730195
H 5.218463 -1.525755 -1.395836
H -2.099397 0.019146 2.743551
H -0.721554 -0.467333 -1.353859
H -4.489133 -0.187487 1.941695
H -3.111237 -0.662213 -2.136124
H -0.003665 2.355345 -1.067939
H 1.568080 3.213993 -1.155971
H 0.471571 3.205512 -2.566261
H 5.258718 -3.109755 0.584389
H 3.564356 -3.589218 0.243781
H 4.860818 -3.993873 -0.921867


