%chk=000257351.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257351

0 1
S 2.914530 1.788892 0.576770
O -4.575615 1.069263 0.197697
N -1.712536 0.107112 -0.154437
N -0.333491 1.905060 0.240220
N 0.008335 -1.705936 -0.176722
N 2.290442 -0.792476 0.203509
N 1.896271 -3.120083 -0.002798
C -0.421762 -0.410855 -0.060944
C -2.945631 -0.655058 -0.400173
C 0.437738 0.731112 0.182127
C -1.597442 1.528062 0.043659
C -4.069684 -0.220896 0.554282
C 1.817647 0.463406 0.303697
C 1.371596 -1.834347 -0.009962
C 4.539276 1.019392 0.681031
H -3.257796 -0.510949 -1.461645
H -2.727819 -1.746260 -0.276610
H -2.482575 2.158597 0.038520
H -4.892427 -0.957810 0.561439
H -3.706043 -0.062759 1.591283
H -5.055772 1.033430 -0.654504
H 1.323345 -3.875435 -0.348762
H 2.896153 -3.230538 -0.087132
H 4.815440 0.519333 -0.256527
H 4.583834 0.264877 1.478505
H 5.272288 1.806767 0.895376


%chk=000257351-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257351

0 1
S 2.985354 1.882015 0.575559
O -4.644739 1.003752 0.327747
N -1.706597 0.181830 -0.173709
N -0.334510 1.995137 0.180231
N -0.018984 -1.622421 -0.155512
N 2.256373 -0.750034 0.216824
N 1.853841 -3.039095 -0.064854
C -0.409160 -0.324907 -0.071467
C -2.903458 -0.634589 -0.423707
C 0.429471 0.811590 0.150296
C -1.597715 1.583323 -0.015038
C -4.059962 -0.330168 0.543358
C 1.813301 0.529432 0.293321
C 1.337753 -1.762884 0.000044
C 4.591845 0.908570 0.676653
H -3.242420 -0.497461 -1.470951
H -2.584729 -1.687936 -0.313862
H -2.479044 2.219239 -0.023691
H -4.831816 -1.121723 0.444924
H -3.697302 -0.313998 1.583300
H -5.130433 1.011080 -0.535641
H 1.227085 -3.822132 -0.224391
H 2.854298 -3.172363 0.046902
H 4.757896 0.365762 -0.264100
H 4.544605 0.197672 1.513162
H 5.377348 1.662209 0.842500


