%chk=000285606.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000285606

0 1
S 3.286635 1.424571 -0.228768
O 1.900602 0.633853 -0.738720
O 3.061287 1.006428 1.369752
O 4.440571 0.747024 -0.717610
O 3.059068 2.816376 -0.383245
N -0.531914 -0.954835 0.244707
C 1.790831 -1.788624 -0.215532
C 0.767021 -1.339964 0.867379
C 1.994650 -0.691976 -1.296793
C 1.277712 -3.045928 -0.934948
C 3.124575 -2.105428 0.476925
C -1.571783 -0.656164 1.281195
C -2.759318 0.012564 0.631291
C -3.204738 1.260649 1.088845
C -3.429966 -0.621881 -0.425465
C -4.317165 1.865401 0.495682
C -4.538668 -0.011790 -1.016598
C -4.985414 1.231544 -0.556125
H 1.214199 -0.517092 1.484942
H 0.589622 -2.188757 1.564840
H 2.950442 -0.816466 -1.837478
H 1.160638 -0.688773 -2.030426
H 0.266111 -2.888107 -1.337437
H 1.931756 -3.348423 -1.758037
H 1.205270 -3.896222 -0.247112
H 3.882824 -2.438131 -0.244171
H 3.557325 -1.244372 1.001284
H 3.017679 -2.910258 1.212810
H -0.395452 -0.126841 -0.353744
H -1.186413 -0.041735 2.124865
H -1.893319 -1.628740 1.725462
H -2.689157 1.764133 1.903873
H -3.073880 -1.587563 -0.785369
H -4.661440 2.834254 0.853725
H -5.056048 -0.505475 -1.837465
H -5.850170 1.704696 -1.016697
H 2.184326 0.566855 1.562263


%chk=000285606-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000285606

0 1
S 3.632398 1.399490 -0.556012
O 1.939561 0.607759 -0.542890
O 4.223571 1.082878 1.173512
O 4.616819 0.564435 -1.511362
O 3.401232 2.983216 -0.699473
N -0.522727 -0.759490 0.390317
C 1.693657 -1.866886 -0.102188
C 0.656485 -1.430325 0.977770
C 1.856087 -0.749085 -1.156817
C 1.164575 -3.111830 -0.866144
C 3.041063 -2.186604 0.588459
C -1.678224 -0.613518 1.303624
C -2.882032 0.012586 0.609616
C -3.661044 0.995080 1.268921
C -3.258884 -0.399550 -0.694567
C -4.801506 1.550969 0.644531
C -4.394988 0.156996 -1.322170
C -5.172304 1.132737 -0.653811
H 1.172334 -0.788063 1.728774
H 0.307097 -2.335277 1.512555
H 2.737557 -0.925278 -1.803978
H 0.953156 -0.676287 -1.794057
H 0.127210 -2.943218 -1.206830
H 1.792594 -3.348336 -1.746371
H 1.175792 -3.995600 -0.202525
H 3.778556 -2.569704 -0.140761
H 3.473563 -1.295074 1.077416
H 2.900087 -2.961741 1.365084
H -0.266721 0.141206 -0.043505
H -1.432146 -0.019500 2.217551
H -1.939274 -1.631742 1.660305
H -3.373971 1.329180 2.273948
H -2.647563 -1.150718 -1.206598
H -5.393826 2.311045 1.166460
H -4.676172 -0.169185 -2.330118
H -6.053921 1.564196 -1.141041
H 4.030207 1.920043 1.690474


