%chk=000276789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276789

0 1
S -2.438094 0.576997 -1.234495
S -5.173565 -0.936086 1.936508
O -2.728527 1.984403 -1.208382
O -2.812498 -0.256332 -2.344523
N -3.145960 -0.134882 0.225572
N 3.280769 -0.196251 0.075808
N -5.454471 0.241564 -0.382327
N 5.398953 -1.271269 0.418019
N 3.486520 -2.582691 0.547708
N 7.562164 -0.515134 -0.016806
N 5.825001 1.114812 -0.021013
C -0.794912 0.306149 -0.829262
C -0.077593 1.274889 -0.105593
C -0.141865 -0.855297 -1.262560
C 1.913718 -0.111437 -0.206414
C 1.255357 1.075400 0.214176
C 1.194012 -1.078253 -0.950659
C -4.504623 -0.197821 0.433364
C -6.789573 -0.602716 1.368965
C -6.738947 0.009055 0.152643
C 3.996986 -1.294383 0.326203
C 6.183522 -0.225000 0.123005
H -0.578974 2.200118 0.204890
H -0.688698 -1.595707 -1.860608
H -2.551478 -0.517564 0.968977
H 1.814141 1.822105 0.776432
H 1.697207 -1.967943 -1.323998
H -7.651091 -0.870613 1.950890
H -7.583203 0.337731 -0.450168
H 4.114398 -3.300642 0.888620
H 2.522560 -2.688286 0.826753
H 7.832891 -1.468761 0.221499
H 8.222559 0.172670 0.323170
H 4.823549 1.334031 -0.102903
H 6.435564 1.756044 -0.506288


%chk=000276789-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276789

0 1
S -2.492589 0.638536 -1.290333
S -5.194011 -1.036676 2.054071
O -2.803745 2.226217 -1.254212
O -2.866131 -0.261615 -2.581924
N -3.210695 -0.166234 0.247075
N 3.391967 -0.140048 0.037162
N -5.515536 0.184656 -0.327889
N 5.428882 -1.374380 0.402055
N 3.423338 -2.469571 0.675628
N 7.579646 -0.535582 0.221437
N 5.756276 0.936874 -0.163370
C -0.697681 0.349870 -0.839242
C -0.020670 1.345100 -0.107304
C -0.069601 -0.817472 -1.310609
C 2.021151 -0.047644 -0.231667
C 1.336904 1.137232 0.191105
C 1.289391 -1.014814 -1.001438
C -4.565737 -0.247892 0.477294
C -6.854435 -0.680590 1.427691
C -6.792604 -0.054591 0.198313
C 4.050296 -1.280570 0.338251
C 6.220162 -0.311939 0.144663
H -0.540427 2.259707 0.196959
H -0.624291 -1.531756 -1.928611
H -2.513680 -0.498039 0.916824
H 1.901677 1.885439 0.755836
H 1.807670 -1.893416 -1.400051
H -7.725830 -0.960620 2.014904
H -7.660980 0.260807 -0.381053
H 4.018070 -3.244904 0.958828
H 2.412671 -2.533646 0.765288
H 7.877683 -1.478130 0.460487
H 8.268909 0.187082 0.035401
H 4.701900 0.975910 -0.186117
H 6.367845 1.731598 -0.338251


