%chk=000207885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000207885

0 1
S 2.077318 -0.112403 1.113715
O 4.460977 0.250237 -1.894220
O 4.790996 0.012213 0.236527
N -2.438011 -1.281990 0.186440
N -2.460534 1.151365 0.462905
N -0.618563 -0.167898 1.377059
N 0.349194 0.095942 -0.872135
N 4.066619 0.116510 -0.744589
C -2.099473 -0.151374 1.110553
C -2.637823 -0.677466 -1.170508
C -2.651541 0.863071 -0.995512
C -3.609937 -2.068905 0.657819
C -3.645945 1.790604 1.096101
C 0.387981 -0.057018 0.482582
C 2.664554 0.076623 -0.507988
C 1.610665 0.168710 -1.409487
H -2.567383 -0.271241 2.127672
H -3.545330 -1.047543 -1.677580
H -1.759455 -0.988921 -1.784814
H -1.779666 1.319698 -1.522046
H -3.566153 1.321466 -1.409087
H -0.372018 -0.277114 2.362797
H -3.379722 -2.519514 1.637082
H -3.767830 -2.909736 -0.041713
H -4.551327 -1.505895 0.734862
H -3.420900 2.016781 2.151216
H -4.575904 1.206039 1.045316
H -3.822792 2.762561 0.600879
H 1.723902 0.292097 -2.490448


%chk=000207885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000207885

0 1
S 1.721040 -0.080542 1.386559
O 3.954195 0.101470 -1.952625
O 4.510474 -0.007206 0.281803
N -2.993436 -1.187536 0.188282
N -3.127443 1.054435 0.468980
N -1.091437 -0.108298 1.519892
N -0.077932 0.012478 -0.654635
N 3.643529 0.036316 -0.690270
C -2.664089 -0.142873 1.100654
C -3.155414 -0.664419 -1.191279
C -3.156414 0.878511 -1.006104
C -2.524865 -2.552527 0.399160
C -2.786139 2.362764 1.020752
C -0.019754 -0.055340 0.694045
C 2.261678 0.009733 -0.345668
C 1.177780 0.046460 -1.220313
H -3.087590 -0.288490 2.115475
H -4.102418 -1.037086 -1.625345
H -2.312343 -0.972679 -1.840119
H -2.260112 1.323162 -1.483909
H -4.062539 1.354522 -1.423031
H -0.913412 -0.154217 2.527862
H -2.623664 -2.828226 1.464650
H -1.463173 -2.701657 0.098193
H -3.148701 -3.251718 -0.186022
H -2.926516 2.360600 2.116745
H -3.462422 3.127232 0.598535
H -1.737568 2.671192 0.804918
H 1.290582 0.100836 -2.303787


