%chk=000294593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294593

0 1
S -1.292955 -0.711078 -1.103122
O -1.628117 2.112313 0.117465
O -3.621623 1.630022 -0.799799
N -3.935452 0.295910 1.833083
N 5.192407 0.503612 0.527197
C -2.499561 -1.130680 0.232782
C -2.708286 0.199839 1.009513
C -1.956234 -2.224008 1.130361
C -3.734583 -1.567589 -0.536779
C 0.261616 -0.297584 -0.237450
C 1.369788 -0.411390 -1.277180
C -2.762253 1.342290 -0.004777
C 2.701796 -0.094123 -0.650942
C 3.096244 1.237254 -0.449539
C 3.569037 -1.122040 -0.253599
C 4.343519 1.492130 0.139737
C 4.800462 -0.781821 0.327712
H -1.835008 0.374608 1.703681
H -2.681373 -2.516727 1.901195
H -1.724123 -3.135593 0.558594
H -1.034329 -1.933711 1.651599
H -4.169793 -0.743302 -1.130187
H -4.522671 -1.941234 0.127734
H -3.516515 -2.381785 -1.244139
H 0.433388 -0.982666 0.612540
H 0.188875 0.733289 0.170076
H 1.180447 0.276092 -2.132003
H 1.382921 -1.428783 -1.727162
H -3.974756 -0.462700 2.507032
H -4.774343 0.246869 1.256332
H 2.449178 2.059501 -0.743740
H 3.298663 -2.165191 -0.392640
H -1.613733 2.872719 -0.524079
H 4.690250 2.517590 0.314439
H 5.508316 -1.554632 0.649966


%chk=000294593-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000294593

0 1
S -1.261290 -0.976688 -1.265556
O -1.665597 2.179148 0.112777
O -3.800233 1.661296 -0.641700
N -3.803491 0.068462 1.906183
N 5.229011 0.603243 0.667404
C -2.554790 -1.214861 0.153965
C -2.672757 0.122788 0.963912
C -2.127701 -2.356499 1.094324
C -3.860925 -1.572125 -0.588148
C 0.330902 -0.528613 -0.335751
C 1.475148 -0.411528 -1.373720
C -2.793770 1.344733 0.032477
C 2.787291 -0.059792 -0.690914
C 3.144284 1.286751 -0.424064
C 3.689897 -1.064279 -0.257992
C 4.355597 1.567584 0.246782
C 4.880547 -0.692822 0.406694
H -1.745318 0.244556 1.548666
H -2.864762 -2.441385 1.913915
H -2.085235 -3.311716 0.543345
H -1.136933 -2.173408 1.548618
H -4.203895 -0.749442 -1.237538
H -4.651819 -1.797744 0.150474
H -3.710247 -2.474279 -1.206671
H 0.556069 -1.321767 0.397187
H 0.180416 0.433041 0.182109
H 1.208055 0.365126 -2.114581
H 1.569114 -1.369074 -1.918703
H -3.682405 0.634147 2.750346
H -4.715497 0.214413 1.461363
H 2.490998 2.108607 -0.739049
H 3.474290 -2.123271 -0.441291
H -1.798856 2.964825 -0.486003
H 4.651917 2.601436 0.458943
H 5.593186 -1.453460 0.746100


