%chk=000245722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245722

0 1
S -0.343089 0.894014 1.387608
N 1.986018 0.596847 0.174933
C 4.380892 -0.857761 -0.693963
C 3.075003 -1.578060 -0.336871
C 4.466632 0.469227 0.069667
C 1.855889 -0.679914 -0.600035
C 3.232741 1.345613 -0.202028
C 0.786017 1.446247 0.034883
C -1.817584 0.508251 0.503545
C -2.184351 -0.832115 0.304448
C -2.634267 1.555383 0.070668
C -3.400193 -1.103004 -0.349808
C -1.321308 -1.953483 0.772378
C -3.837069 1.272120 -0.581749
C -4.216198 -0.059151 -0.789160
H 5.248710 -1.496571 -0.446748
H 4.432298 -0.676404 -1.783884
H 2.978108 -2.515510 -0.913026
H 3.091443 -1.865790 0.734367
H 4.538495 0.267367 1.158052
H 5.382635 1.020368 -0.208783
H 1.734993 -0.509719 -1.690774
H 0.929481 -1.202094 -0.242551
H 3.284668 2.259561 0.429232
H 3.229039 1.675209 -1.262801
H 0.264455 1.388363 -0.939913
H 1.018991 2.513199 0.233880
H -2.341400 2.591367 0.245757
H -3.707589 -2.133937 -0.512508
H -1.273702 -1.984730 1.872912
H -1.668177 -2.935563 0.431911
H -0.272950 -1.830819 0.425315
H -4.478038 2.082001 -0.921604
H -5.155093 -0.282412 -1.294649


%chk=000245722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245722

0 1
S 0.182034 0.402541 0.986086
N 2.191444 1.051888 -1.100867
C 4.184237 -0.864891 -0.073887
C 2.910471 -1.350716 -0.808054
C 3.921671 0.483057 0.641574
C 2.383061 -0.255333 -1.773177
C 3.388793 1.530066 -0.371041
C 0.912068 1.433801 -0.668021
C -1.577877 0.219096 0.498495
C -2.229689 -1.045829 0.636463
C -2.293568 1.336133 -0.006312
C -3.589870 -1.141849 0.246608
C -1.502989 -2.257043 1.188307
C -3.644013 1.211823 -0.401247
C -4.297533 -0.033913 -0.273687
H 4.520307 -1.627421 0.653394
H 5.008389 -0.735073 -0.807344
H 3.121890 -2.271644 -1.385727
H 2.121861 -1.585174 -0.068633
H 3.178414 0.339434 1.449436
H 4.850719 0.865718 1.106909
H 3.114000 -0.111586 -2.596407
H 1.422326 -0.561763 -2.223265
H 3.137914 2.479836 0.134581
H 4.182391 1.745703 -1.117135
H 0.120513 1.213149 -1.400451
H 0.887491 2.479299 -0.329846
H -1.798930 2.312322 -0.062806
H -4.098048 -2.108644 0.350170
H -1.241446 -2.118745 2.254475
H -2.123771 -3.165716 1.102574
H -0.548427 -2.422759 0.654785
H -4.181211 2.085037 -0.788436
H -5.347120 -0.142705 -0.568814


