%chk=000253347.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253347

0 1
S 0.422970 0.892452 0.649921
S -2.479872 1.663259 1.181401
N 2.621277 -0.163271 -0.046993
N 5.501826 -0.358562 -0.220276
N -1.771872 -0.473985 -0.163620
C 3.337416 0.132276 -1.330125
C 3.374902 -1.173139 0.764683
C 4.746542 0.669940 -1.010009
C 4.783763 -0.626188 1.069959
C 1.214281 -0.525718 -0.247816
C 6.894749 0.108721 0.045994
C -1.263137 0.550655 0.466381
C -3.760622 0.644520 0.568587
C -3.194719 -0.459076 -0.129435
C -5.136888 0.798856 0.688884
C -4.028697 -1.422977 -0.715881
C -5.956855 -0.166982 0.100993
C -5.407360 -1.262121 -0.591473
H 2.765443 0.908090 -1.883896
H 3.418594 -0.762083 -1.986513
H 3.458629 -2.155083 0.248847
H 2.829956 -1.337420 1.719508
H 5.292499 0.849588 -1.960658
H 4.663909 1.646839 -0.484997
H 4.703291 0.274244 1.717677
H 5.356869 -1.391425 1.635687
H 0.863088 -0.536205 -1.299259
H 0.889975 -1.479490 0.214903
H 7.440106 -0.681951 0.586384
H 6.971725 1.040567 0.625224
H 7.413261 0.253896 -0.915605
H -5.564980 1.644649 1.223751
H -3.595735 -2.267094 -1.249792
H -7.039203 -0.073844 0.177997
H -6.076528 -1.997540 -1.038333


%chk=000253347-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253347

0 1
S 0.945439 0.439470 0.830962
S -1.886493 1.693506 1.413988
N 2.757084 -1.399193 -0.693276
N 5.183574 0.043034 -0.078099
N -1.488662 -0.550401 -0.049457
C 3.392700 -0.518747 -1.700432
C 3.716559 -1.915622 0.309205
C 4.195506 0.617565 -1.025679
C 4.512575 -0.766033 0.969036
C 1.410950 -1.273147 -0.390981
C 6.079834 1.069828 0.490273
C -0.820200 0.365961 0.626665
C -3.313493 0.827271 0.700305
C -2.880154 -0.328293 -0.032602
C -4.675891 1.166964 0.800232
C -3.840791 -1.148628 -0.670389
C -5.621789 0.335472 0.155812
C -5.206022 -0.811068 -0.571704
H 2.611484 -0.101582 -2.358500
H 4.084900 -1.131062 -2.309478
H 4.427956 -2.589333 -0.205437
H 3.166817 -2.493203 1.072141
H 4.739812 1.185412 -1.803076
H 3.488272 1.319861 -0.516986
H 3.823239 -0.147678 1.599272
H 5.284067 -1.195932 1.634677
H 0.756037 -1.045050 -1.240295
H 1.007523 -2.062111 0.254744
H 6.838492 0.586460 1.131519
H 5.543265 1.835589 1.103932
H 6.607855 1.593844 -0.326421
H -5.002984 2.049171 1.359184
H -3.505789 -2.029436 -1.226612
H -6.686904 0.582587 0.221495
H -5.956167 -1.441077 -1.061919


